Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9388338

CC(=O)c1ccc(Nc2ccncc2[N+](=O)[O-])cc1.Cl

nearest known ligand 0.65

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
GAA known ✓ P10253 1/20 0.64
PDE7A known ✓ Q13946 1/20 0.44
ALDH1A1 P00352 3/20 0.65
HTT P42858 3/20 0.65
RAB9A P51151 1/20 0.65
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
HCAR3 P49019 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
TDO2 P48775 1/20 0.44

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 SCHEMBL9686538 0.93 ALDH1A1 (0.57) ALDH1A1HTTRAB9AGAAKMT2A
SCHEMBL17815608 0.85 ALDH1A1 (0.67) ALDH1A1HTTRAB9AGAAKMT2A
SCHEMBL9705093 0.82 GAA (0.73) ALDH1A1HTTRAB9AGAAKMT2A
SCHEMBL9335042 0.82 ALDH1A1 (0.74) ALDH1A1HTTRAB9AGAAKMT2A
SCHEMBL16657410 0.82 ALDH1A1 (0.74) ALDH1A1HTTRAB9AGAAKMT2A
SCHEMBL16657372 0.81 ALDH1A1 (0.82) ALDH1A1HTTRAB9AGAAKMT2A
SCHEMBL4721196 0.81 ALDH1A1 (0.72) ALDH1A1HTTRAB9AGAAKMT2A
SCHEMBL4721191 0.81 ALDH1A1 (0.72) ALDH1A1HTTRAB9AGAAKMT2A
SCHEMBL27728435 0.80 ALDH1A1 (0.76) ALDH1A1HTTRAB9AGAAKMT2A
SCHEMBL27782583 0.79 HTT (0.61) ALDH1A1HTTRAB9AGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0389189-B1 Diazepine antiallergy agents PFIZER LTD (GB) 1994-05-18 EP disclosed
EP-0466711-B1 DIHYDROPYRIMIDINE ANTIALLERGY AGENTS PFIZER LTD (GB) 1993-10-27 EP disclosed
US-5250531-A Antiallergens, antiinflammatory agents PFIZER INC. (US) 1993-10-05 US disclosed
US-5248681-A DIHYDROPYRIDINE ANTIALLERGY AGENTS PFIZER INC. (US) 1993-09-28 US disclosed
EP-0530207-A1 IMIDAZOPYRIDINE PAF ANTAGONISTS Pfizer Limited (GB) 1993-03-10 EP disclosed
EP-0467895-A1 DIHYDROPYRIDINE ANTIALLERGY AGENTS Pfizer Limited (GB) 1992-01-29 EP disclosed
WO-1992000978-A1 IMIDAZOPYRIDINE PAF ANTAGONISTS PFIZER LIMITED (GB) 1992-01-23 WO disclosed
EP-0466711-A1 DIHYDROPYRIMIDINE ANTIALLERGY AGENTS. PFIZER LTD (GB) 1992-01-22 EP disclosed
WO-1991017162-A1 IMIDAZOPYRIDINE PAF ANTAGONISTS PFIZER LIMITED (GB) 1991-11-14 WO disclosed
US-5008263-A Platelet activating factor antagonists; antiallergens; antiinflammatory agents PFIZER INC. (US) 1991-04-16 US disclosed
WO-1990012015-A1 DIHYDROPYRIDINE ANTIALLERGY AGENTS PFIZER LIMITED (GB) 1990-10-18 WO disclosed
WO-1990011281-A1 DIHYDROPYRIMIDINE ANTIALLERGY AGENTS PFIZER LIMITED (GB) 1990-10-04 WO disclosed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 EP disclosed