Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8446192

CC(=O)c1cc(C(=O)NC(=N)N)ccc1C1CCCC1.Cl

nearest known ligand 0.39

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
KLKB1 known ✓ P03952 6/20 0.37
JAK2 known ✓ O60674 1/20 0.35
ROCK2 known ✓ O75116 1/20 0.35
FGFR3 known ✓ P22607 1/20 0.35
PRKCZ known ✓ Q05513 1/20 0.35
PRKCD known ✓ Q05655 1/20 0.35
ROCK1 known ✓ Q13464 1/20 0.35
HDAC1 known ✓ Q13547 1/20 0.35
HDAC8 known ✓ Q9BY41 1/20 0.35
HDAC6 known ✓ Q9UBN7 1/20 0.35
SCN9A known ✓ Q15858 2/20 0.34
SCN5A known ✓ Q14524 1/20 0.34
SLC6A2 known ✓ P23975 2/20 0.34
SLC6A4 known ✓ P31645 2/20 0.34
SLC6A3 known ✓ Q01959 2/20 0.34
CREBBP Q92793 1/20 0.39
PLAU P00749 5/20 0.37
F2 P00734 3/20 0.37
PLG P00747 3/20 0.37
PLAT P00750 3/20 0.37

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 SCHEMBL8444015 0.81 TDP1 (0.36) KDM4EMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL8896320 0.81 SLC9A1 (0.47) SCN9ASCN5AKDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL8899656 0.80 SLC9A1 (0.47) SCN9ASCN5AKMT2A
Hydrochloric Acid SCHEMBL8506226 0.79 SLC9A1 (0.48) SLC6A3
SCHEMBL28610604 0.78 ALDH1A1 (0.47) CREBBPMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL8641493 0.77 SLC9A1 (0.51) SLC6A3
Hydrochloric Acid SCHEMBL8445462 0.76 PLAU (0.41) KLKB1PLAUF2PLGPLAT
SCHEMBL8446220 0.76 PLAU (0.48) PLAUF2PLGPLATPLK4
Hydrochloric Acid SCHEMBL8896835 0.75 SLC9A1 (0.49) CREBBPKLKB1PLAUKMT2A
Hydrochloric Acid SCHEMBL8506097 0.74 HDAC8 (0.59) HDAC1HDAC8HDAC6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628543-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AG (DE) 1999-06-16 EP disclosed
US-5849775-A Substituted benzoylguanidines process for their preparation, their use as a medicament or diagnostic, and pharmaceutical containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
US-5679712-A ANTIARRHYTHMIA AGENTS, TREATMENT OF CARDIOVASCULAR, NERVOUS SYSTEM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
EP-0628543-A1 Substituted benzoylguanidines, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-14 EP disclosed