Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2102303

CN(C)CCCNC(=O)S.Cl

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.50
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
PAOX Q6QHF9 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.41
P2RX4 Q99571 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6357770 0.98 DNM1 (0.52) DNM1KDM4EALDH1A1MEN1HTT
Hydrochloric Acid SCHEMBL10730965 0.82 DNM1 (0.53) DNM1KDM4EALDH1A1MEN1HTT
Hydrochloric Acid SCHEMBL793323 0.80 DNM1 (0.52) DNM1KDM4EALDH1A1MEN1HTT
SCHEMBL78355 0.79 KDM4E (0.59) DNM1KDM4EALDH1A1MEN1HTT
SCHEMBL36169 0.79 DNM1 (0.55) DNM1KDM4EALDH1A1MEN1HTT
Hydrochloric Acid SCHEMBL6673670 0.78 DNM1 (0.50) DNM1KDM4EALDH1A1MEN1HTT
Hydrochloric Acid SCHEMBL31665910 0.78 DNM1 (0.50) DNM1KDM4EALDH1A1MEN1HTT
Hydrochloric Acid SCHEMBL6674841 0.78 DNM1 (0.50) DNM1KDM4EALDH1A1MEN1HTT
Hydrochloric Acid SCHEMBL10949036 0.78 DNM1 (0.42) DNM1KDM4EALDH1A1MEN1HTT
Hydrochloric Acid SCHEMBL28262890 0.78 DNM1 (0.50) DNM1KDM4EALDH1A1MEN1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129221-B1 POLYMORPHS OF 3-(E)-2-{2-[6-(2-CYANOPHENOXY) PYRIMIDIN-4-YLOXY]PHENYL}-3-METHOXYACRYLATE ADAMA MAKHTESHIM LTD (IL) 2018-01-03 EP disclosed
US-20150057152-A1 POLYMORPHS OF METHYL 3-(E)-2--3-METHOXYACRYLATE MAKHTESHIM CHEMICAL WORKS INC (IL) 2015-02-26 US disclosed
US-8877767-B2 Polymorphs of methyl (E)-2-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phyenyl}-3-methoxyacrylate MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2014-11-04 US disclosed
US-8648203-B2 Process for preparing pyridinamines and novel polymorphs thereof MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2014-02-11 US disclosed
US-20140018378-A1 POLYMORPHS OF METHYL (E)-2--3-METHOXYACRYLATE MAKHTESHIM CHEMICAL WORKS, INC. (IL) 2014-01-16 US disclosed
US-8546411-B2 Polymorphs of methyl (E)-2-{2-[6-(2-cyanophenoxy) pyrimidin-4-yloxy] phenyl}-3-methoxyacrylate MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2013-10-01 US disclosed
US-8524723-B2 Polymorphs of methyl 3-(E)-2-{2-[6-(2-cyanophenoxy) pyrimidin-4-yloxy] phenyl}-3-methoxyacrylate MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2013-09-03 US disclosed
US-20130158054-A1 POLYMORPHS OF 3-(E)-2--3-METHOXYACRYLATE MAKHTESHIM CHEMICAL WORKS, INC. (IL) 2013-06-20 US disclosed
US-20120197023-A1 PROCESS FOR PREPARING PYRIDINAMINES AND NOVEL POLYMORPHS THEREOF MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2012-08-02 US disclosed
US-8163930-B2 Process for preparing pyridinamines and novel polymorphs thereof MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2012-04-24 US disclosed
EP-1954271-A2 PROCESS FOR PREPARING PYRIDINAMINES AND NOVEL POLYMORPHS THEREOF MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 2008-08-13 EP disclosed
WO-2008093325-A2 POLYMORPHS OF 3-(E)-2-{2-[6-(2-CYANOPHENOXY) PYRIMIDIN-4-YLOXY]PHENYL}-3-METHOXYACRYLATE MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2008-08-07 WO disclosed
WO-2007060662-A2 PROCESS FOR PREPARING PYRIDINAMINES AND NOVEL POLYMORPHS THEREOF MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2007-05-31 WO disclosed
EP-0049111-B1 PHENOXYBUTYLTRIAZOLE COMPOUND, AGRICULTURAL AND HORTICULTURAL FUNGICIDAL COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA LTD. (JP) 1984-08-29 EP disclosed
EP-0031257-B1 PYRIDYLANILINES ISHIHARA SANGYO KAISHA LTD. (JP) 1984-08-15 EP disclosed
US-4399143-A Phenoxybutyltriazole compound, agricultural and horticultural fungicidal composition containing the same, and process for producing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1983-08-16 US disclosed
US-4378367-A INSECTICIDES; PESTICIDES; PROTECT-IVE COATINGS FBC LIMITED (GB) 1983-03-29 US disclosed
US-4331670-A PESTICIDES ISHIHARA SANGYO KAISHA, LTD. (JP) 1982-05-25 US disclosed
EP-0049111-A1 Phenoxybutyltriazole compound, agricultural and horticultural fungicidal composition containing the same, and process for producing the same ISHIHARA SANGYO KAISHA LTD. (JP) 1982-04-07 EP disclosed
EP-0031257-A2 Pyridylanilines ISHIHARA SANGYO KAISHA LTD. (JP) 1981-07-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120197023-A1 PROCESS FOR PREPARING PYRIDINAMINES AND NOVEL POLYMORPHS THEREOF PDXK, FN3KRP, PTMS DNM1 1778/4885KDM4E 775/4885ALDH1A1 2742/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.