Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9428533

Cl.Cn1c(N2CCN(CCOc3ccc(NS(C)(=O)=O)cc3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.60

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
GRIN1 known ✓ Q05586 4/20 0.47
GRIN2B known ✓ Q13224 4/20 0.47
KCNH2 known ✓ Q12809 4/20 0.43
ADRB2 known ✓ P07550 2/20 0.42
ADRB1 known ✓ P08588 2/20 0.42
ADRB3 known ✓ P13945 2/20 0.42
DRD2 known ✓ P14416 1/20 0.41
ADRA1D known ✓ P25100 1/20 0.41
SLC6A4 known ✓ P31645 1/20 0.41
ADRA1A known ✓ P35348 1/20 0.41
ADRA1B known ✓ P35368 1/20 0.41
CACNA1F known ✓ O60840 1/20 0.40
CHRM2 known ✓ P08172 1/20 0.40
ACHE known ✓ P22303 1/20 0.40
AGTR1 known ✓ P30556 1/20 0.40
DRD3 known ✓ P35462 1/20 0.40
CACNA1D known ✓ Q01668 1/20 0.40
CACNA1S known ✓ Q13698 1/20 0.40
CACNA1C known ✓ Q13936 1/20 0.40
PDGFRB known ✓ P09619 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
SCHEMBL9428861 0.99 LTA4H (0.61) LTA4HGRIN1GRIN2BNPC1RAB9A
Hydrochloric Acid SCHEMBL9428931 0.95 LTA4H (0.54) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL9428457 0.94 LTA4H (0.55) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL9429543 0.93 LTA4H (0.54) LTA4HGRIN1GRIN2BNPC1RAB9A
Hydrochloric Acid SCHEMBL9428714 0.85 DRD2 (0.43) LTA4HALDH1A1MEN1KMT2ADRD2
Hydrochloric Acid SCHEMBL9428402 0.85 ALDH1A1 (0.45) LTA4HGRIN1GRIN2BKCNH2ALDH1A1
SCHEMBL9428511 0.84 DRD2 (0.44) LTA4HRAB9AALDH1A1MEN1KMT2A
SCHEMBL9428392 0.84 HPGD (0.47) LTA4HALDH1A1MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL9428493 0.84 DRD2 (0.46) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL9431975 0.84 ALDH1A1 (0.46) LTA4HGRIN1GRIN2BKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed