Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9698949

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1.Cl

nearest known ligand 0.97

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
CACNA1F known ✓ O60840 3/20 0.76
CACNA1D known ✓ Q01668 3/20 0.76
CACNA1S known ✓ Q13698 3/20 0.76
CACNA1C known ✓ Q13936 3/20 0.76
NR3C1 known ✓ P04150 1/20 0.69
AGTR1 known ✓ P30556 1/20 0.69
PTGS2 known ✓ P35354 1/20 0.69
PDE4D known ✓ Q08499 1/20 0.69
SCN5A known ✓ Q14524 1/20 0.69
HIF1A Q16665 4/20 0.85
MEN1 O00255 4/20 0.85
KMT2A Q03164 4/20 0.85
MAPT P10636 4/20 0.85
CYP1A2 P05177 3/20 0.85
CYP3A4 P08684 3/20 0.85
CYP2C9 P11712 3/20 0.85
CYP2C19 P33261 3/20 0.85
LMNA P02545 2/20 0.85
MAPK1 P28482 2/20 0.85
CYP2D6 P10635 2/20 0.85

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 SCHEMBL10464260 1.00 HIF1A (0.85) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL4661064 1.00 HIF1A (0.85) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL6455299 0.99 HIF1A (0.87) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL30648615 0.99 HIF1A (0.87) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL6234505 0.95 MAPT (0.78) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL10464261 0.95 MAPT (0.78) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL4661068 0.95 MAPT (0.78) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL10464259 0.95 MAPT (0.78) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL4661058 0.95 MAPT (0.78) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9089904 0.95 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2

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
US-5158963-A Cognition activators; improve brain function KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-10-27 US disclosed
EP-0503079-A1 PYRIDAZINONE-SUBSTITUTED ETHYNYLPHENYL DERIVATIVE AND REMEDY FOR CIRCULATORY ORGAN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-09-16 EP disclosed
EP-0411549-A1 1,4-dihydropyridine derivative, process for preparing the same and pharmaceutical composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1991-02-06 EP disclosed