Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21437257

Cl.Nc1nc2cc(NC(=O)c3ccc(Br)c(Br)c3)ccc2n1CCCc1ccccc1

nearest known ligand 0.53

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
▸ HDAC1 known ✓ Q13547 1/20 0.48
▸ HDAC8 known ✓ Q9BY41 1/20 0.48
▸ HDAC6 known ✓ Q9UBN7 1/20 0.41
▸ EHMT2 Q96KQ7 2/20 0.53
▸ EHMT1 Q9H9B1 1/20 0.53
▸ BACE1 P56817 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PLK1 P53350 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 1/20 0.39
▸ CNR2 P34972 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
Hydrochloric Acid SCHEMBL21437388 0.89 EHMT2 (0.52) EHMT2EHMT1HDAC1HDAC8BACE1
SCHEMBL21450774 0.88 EHMT2 (0.53) EHMT2EHMT1HDAC1HDAC8BACE1
Hydrochloric Acid SCHEMBL21437364 0.87 EHMT2 (0.53) EHMT2EHMT1HDAC1HDAC8BACE1
Hydrochloric Acid SCHEMBL28512158 0.86 EHMT2 (0.56) EHMT2EHMT1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL21437380 0.86 EHMT2 (0.58) EHMT2EHMT1HDAC1HDAC8BACE1
SCHEMBL22919755 0.86 EHMT2 (0.54) EHMT2EHMT1HDAC1HDAC8BACE1
Hydrochloric Acid SCHEMBL21437074 0.86 EHMT2 (0.56) EHMT2EHMT1BACE1ADORA2ANPC1
Hydrochloric Acid SCHEMBL21437347 0.85 EHMT2 (0.55) EHMT2EHMT1HDAC1HDAC8BACE1
Hydrochloric Acid SCHEMBL21437366 0.85 BACE1 (0.53) EHMT2EHMT1HDAC1HDAC8BACE1
Hydrochloric Acid SCHEMBL21437413 0.85 EHMT2 (0.55) EHMT2EHMT1PLK1MAPT

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-3774740-A2 SUBSTITUTED 2-AMINOBENZIMIDAZOLES ANALOGS AS ANTIBIOFILM AGENTS Ohio State Innovation Foundation (US) 2021-02-17 — — EP disclosed
CN-112351973-A Substituted 2-aminobenzimidazole analogs as anti-biofilm agents 俄亥俄州国家创新基金会 2021-02-09 — — CN disclosed
WO-2019195493-A2 SUBSTITUTED 2-AMINOBENZIMIDAZOLES ANALOGS AS ANTIBIOFILM AGENTS OHIO STATE INNOVATION FOUNDATION (US) 2019-10-10 — — WO disclosed
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