Hydrochloric Acid

Hydrochloric Acid

SCHEMBL30439412

CCCC[C@@H]1CNCCCN1S(=O)(=O)c1cccc2c(O)nccc12.Cl

nearest known ligand 0.43

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
▸ ROCK2 known ✓ O75116 6/20 0.43
▸ ROCK1 known ✓ Q13464 6/20 0.43
▸ PRKCD known ✓ Q05655 5/20 0.43
▸ PRKCE known ✓ Q02156 3/20 0.43
▸ PRKD1 known ✓ Q15139 3/20 0.43
▸ PRKD3 known ✓ O94806 3/20 0.41
▸ PRKCZ known ✓ Q05513 3/20 0.41
▸ PRKCG known ✓ P05129 2/20 0.41
▸ PRKCB known ✓ P05771 2/20 0.41
▸ PRKCA known ✓ P17252 2/20 0.41
▸ PRKCH known ✓ P24723 2/20 0.41
▸ PRKCI known ✓ P41743 2/20 0.41
▸ PRKCQ known ✓ Q04759 2/20 0.41
▸ LCK known ✓ P06239 1/20 0.40
▸ FGFR1 known ✓ P11362 1/20 0.40
▸ FLT4 known ✓ P35916 1/20 0.40
▸ KDR known ✓ P35968 1/20 0.40
▸ HTR7 known ✓ P34969 5/20 0.36
▸ HTR1D known ✓ P28221 3/20 0.36
▸ HTR2B known ✓ P41595 3/20 0.36

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 SCHEMBL23795343 1.00 ROCK2 (0.43) ROCK2ROCK1PRKCDPRKCEPRKD1
Hydrochloric Acid SCHEMBL30439409 1.00 ROCK2 (0.43) ROCK2ROCK1PRKCDPRKCEPRKD1
Hydrochloric Acid SCHEMBL23795384 1.00 ROCK2 (0.43) ROCK2ROCK1PRKCDPRKCEPRKD1
SCHEMBL30438729 0.99 ROCK1 (0.43) ROCK2ROCK1PRKCDPRKCEPRKD1
SCHEMBL23795383 0.99 ROCK1 (0.43) ROCK2ROCK1PRKCDPRKCEPRKD1
SCHEMBL30439177 0.99 ROCK1 (0.43) ROCK2ROCK1PRKCDPRKCEPRKD1
SCHEMBL23795416 0.99 ROCK1 (0.43) ROCK2ROCK1PRKCDPRKCEPRKD1
Hydrochloric Acid SCHEMBL23795425 0.88 ROCK2 (0.41) ROCK2ROCK1PRKCDPRKCEPRKD1
Hydrochloric Acid SCHEMBL23795326 0.88 ROCK2 (0.41) ROCK2ROCK1PRKCDPRKCEPRKD1
Hydrochloric Acid SCHEMBL30438941 0.88 ROCK2 (0.41) ROCK2ROCK1PRKCDPRKCEPRKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116555-B Rho kinase inhibitor and preparation method and application thereof 北京盈科瑞创新药物研究有限公司 2023-06-02 — — CN disclosed
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