Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8445462

CC(=O)c1cc(C(=O)NC(=N)N)ccc1F.Cl

nearest known ligand 0.49

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
JAK2 known ✓ O60674 1/20 0.36
ROCK2 known ✓ O75116 1/20 0.36
FGFR3 known ✓ P22607 1/20 0.36
PRKCZ known ✓ Q05513 1/20 0.36
PRKCD known ✓ Q05655 1/20 0.36
ROCK1 known ✓ Q13464 1/20 0.36
HDAC1 known ✓ Q13547 3/20 0.36
HDAC6 known ✓ Q9UBN7 3/20 0.36
GAA known ✓ P10253 2/20 0.36
KCNQ3 known ✓ O43525 1/20 0.35
KCNQ2 known ✓ O43526 1/20 0.35
KLKB1 known ✓ P03952 2/20 0.35
PLAU P00749 3/20 0.41
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
CHUK O15111 1/20 0.36
DAPK3 O43293 1/20 0.36
PAK4 O96013 1/20 0.36
CHEK2 O96017 1/20 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
SCHEMBL8446220 0.82 PLAU (0.48) PLAUPLK4CHEK1AURKACHUK
Hydrochloric Acid SCHEMBL8442747 0.80 CYP1A2 (0.43)
Hydrochloric Acid SCHEMBL8445922 0.80 HDAC1 (0.48) PLAUHDAC1HDAC6GAASMN1; SMN2
Hydrochloric Acid SCHEMBL8446579 0.80 SCN5A (0.40) PLAUPLK4CHEK1AURKACHUK
Hydrochloric Acid SCHEMBL8506201 0.79 HDAC1 (0.41) PLAUMTORHDAC1HDAC6SMN1; SMN2
Hydrochloric Acid SCHEMBL8505392 0.79 KCNQ3 (0.48) SMN1; SMN2KCNQ3KCNQ2NPC1RAB9A
Hydrochloric Acid SCHEMBL8446694 0.79 F2 (0.46) HDAC1GAASMN1; SMN2ALDH1A1F2
Hydrochloric Acid SCHEMBL8446621 0.78 POLB (0.50) PLAUIRAK4HDAC1HDAC6ALDH1A1
SCHEMBL10316500 0.77 PARP1 (0.46) SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8443093 0.77 PLAU (0.37) PLAUPLK4CHEK1AURKACHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1068308-C Substituted benzoylguanide preparation and pharmaceutical application of same HOECHST AG (DE) 2001-07-11 CN disclosed
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
CN-1097737-A Benzoyl guanidine, its method for making that replaces and contain their medicine and application HOECHST AG (DE) 1995-01-25 CN 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