Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2102306

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

nearest known ligand 0.46

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 16)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.43
ALDH1A1 P00352 3/20 0.46
CA1 P00915 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DNM1 Q05193 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
PAOX Q6QHF9 1/20 0.37

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
SCHEMBL6357771 0.98 ALDH1A1 (0.47) ALDH1A1CA1CA2CA12CA9
SCHEMBL11291652 0.83
SCHEMBL445252 0.81 ALDH1A1 (0.53) ALDH1A1CA1CA2CA12CA9
SCHEMBL16450791 0.79 CA1 (0.45) ALDH1A1CA1CA2CA12CA9
Hydrochloric Acid SCHEMBL793323 0.77 DNM1 (0.52) ALDH1A1KDM4EDNM1MEN1HTT
SCHEMBL532919 0.77 TDP1 (0.45) ALDH1A1CA1CA2CA12CA9
SCHEMBL11143215 0.77 ALDH1A1 (0.44) ALDH1A1CA1CA2CA12CA9
SCHEMBL10946532 0.77 CA1 (0.43) ALDH1A1CA1CA2CA12CA9
SCHEMBL78355 0.76 KDM4E (0.59) ALDH1A1KDM4EDNM1TDP1MEN1
SCHEMBL10911643 0.76 CA1 (0.76) ALDH1A1CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302524-A High molecular weight modified dsRNA compositions 纳诺索尔公司 2024-07-05 CN disclosed
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
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 CA2 2430/4885ALDH1A1 2742/4885CA1 4620/4885

“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.