Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7564440

Cl.N=C(N)N(CCO)c1ccc(C(=O)O)cc1

nearest known ligand 0.42

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 20)

geneUniProtsupporting neighboursconfidence
HDAC3 known ✓ O15379 1/20 0.40
HDAC4 known ✓ P56524 1/20 0.40
HDAC1 known ✓ Q13547 1/20 0.40
HDAC2 known ✓ Q92769 1/20 0.40
HDAC10 known ✓ Q969S8 1/20 0.40
HDAC8 known ✓ Q9BY41 1/20 0.40
HDAC6 known ✓ Q9UBN7 1/20 0.40
CA2 known ✓ P00918 2/20 0.40
ADRA2C known ✓ P18825 1/20 0.36
DRD1 known ✓ P21728 1/20 0.34
NCOR2 Q9Y618 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PTGES O14684 5/20 0.36
ALOX5 P09917 5/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
Hydrochloric Acid SCHEMBL7562654 0.84 MEN1 (0.41) CA12CA1CA2CA9TP53
Hydrochloric Acid SCHEMBL7571060 0.83 ALOX5 (0.45) HDAC1HDAC6CA12CA2CA9
Hydrochloric Acid SCHEMBL8376263 0.82 ALDH1A1 (0.39) HDAC1HDAC6CA12CA1CA2
Hydrochloric Acid SCHEMBL7567878 0.80 USP2 (0.46) CA12CA1CA2CA9TSHR
Hydrochloric Acid SCHEMBL7564501 0.78 PDK1 (0.44) TSHRMEN1POLBKMT2AALDH1A1
SCHEMBL18741214 0.76 CYP3A4 (0.41) TP53KMT2A
Hydrochloric Acid SCHEMBL7562985 0.76 ALDH1A1 (0.44) POLBKMT2AALDH1A1
SCHEMBL1665573 0.73 TSHR (0.50) CA12CA1CA2CA9TP53
Hydrochloric Acid SCHEMBL7561662 0.73 NPC1 (0.47) CA12CA1CA2CA9TP53
SCHEMBL2746643 0.72 TSHR (0.48) CA12CA1CA2CA9TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802179-B1 SUBSTITUTED AMIDINONAPHTHYL ESTER DERIVATIVES TORII PHARMACEUTICAL CO LTD (JP) 2002-08-21 EP disclosed
US-5885990-A FIBRINOLYSIS PROMOTING ACTION; THROMBOLYSIS ACTION TORII PHARMACEUTICAL CO., LTD. (JP) 1999-03-23 US disclosed
EP-0802179-A1 SUBSTITUTED AMIDINONAPHTHYL ESTER DERIVATIVES TORII PHARMACEUTICAL CO., LTD. (JP) 1997-10-22 EP disclosed