Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9368917

Cl.Cl.c1ccc(CNc2ccc3nc(Nc4ccccc4)[nH]c3c2)cc1

nearest known ligand 0.59

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
HDAC6 known ✓ Q9UBN7 3/20 0.52
KCNH3 known ✓ Q9ULD8 1/20 0.49
KDR known ✓ P35968 1/20 0.46
HDAC3 known ✓ O15379 1/20 0.45
HDAC1 known ✓ Q13547 1/20 0.45
HDAC2 known ✓ Q92769 1/20 0.45
HDAC8 known ✓ Q9BY41 1/20 0.45
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
GFER P55789 1/20 0.59
HIF1A Q16665 1/20 0.59
TP53 P04637 2/20 0.58
RIPK1 Q13546 1/20 0.53
CSNK1A1 P48729 3/20 0.52
CSNK1D P48730 3/20 0.52
GSK3B P49841 2/20 0.52
CSNK1G2 P78368 2/20 0.52
PTPN1 P18031 1/20 0.48

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
SCHEMBL9368584 0.99 RAB9A (0.60) RAB9ASMN1; SMN2LMNAHTTGFER
Hydrochloric Acid SCHEMBL9368907 0.90 RAB9A (0.56) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL9717924 0.88 RAB9A (0.52) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL9368578 0.88 RAB9A (0.57) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL9368188 0.86 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL9372321 0.84 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2LMNAHTTGFER
Hydrochloric Acid SCHEMBL9373375 0.84 RAB9A (0.62) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL9718864 0.83 RIPK1 (0.63) RAB9ASMN1; SMN2RIPK1CSNK1A1CSNK1D
SCHEMBL9368586 0.82 RAB9A (0.63) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL9846284 0.79 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2LMNAHTTGFER

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-0419210-B1 Novel benzimidazole compounds and their use PFIZER (US) 1994-11-02 EP disclosed
US-5141950-A Enzyme inhibitors; treating asthma; antiarthritic agent PFIZER INC. (US) 1992-08-25 US disclosed
EP-0419210-A1 Novel benzimidazole compounds and their use PFIZER INC. (US) 1991-03-27 EP disclosed