Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7791934

Cl.N=C(N)NC(=O)c1cc(I)c(O)cc1Cl

nearest known ligand 0.38

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
GAA known ✓ P10253 2/20 0.34
CA2 known ✓ P00918 3/20 0.32
PLAU P00749 3/20 0.38
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
PLG P00747 2/20 0.35
PLAT P00750 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PYGL P06737 5/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
CCR6 P51684 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNMA1 Q12791 1/20 0.33
CA1 P00915 3/20 0.32
CA9 Q16790 3/20 0.32

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
SCHEMBL7797852 0.98 PLAU (0.39) PLAUF2F10PLGPLAT
Hydrochloric Acid SCHEMBL7791912 0.78 TMPRSS4 (0.40) PLAUF2F10PLGPLAT
Hydrochloric Acid SCHEMBL7799865 0.78 PLAU (0.40) PLAUF2F10PLGPLAT
SCHEMBL7797854 0.77 TMPRSS4 (0.41) PLAUF2F10PLGPLAT
Hydrochloric Acid SCHEMBL8393884 0.76 KDM4E (0.62) ALDH1A1MAPTKDM4EPYGLGAA
Hydrochloric Acid SCHEMBL8392493 0.76 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL7797776 0.76 PLAU (0.41) PLAUF2F10PLGPLAT
Hydrochloric Acid SCHEMBL7797878 0.75 PYGL (0.45) ALDH1A1MAPTKDM4EPYGLGAA
Hydrochloric Acid SCHEMBL9568499 0.75 CA1 (0.62) CA1CA2CA9CA12CA3
SCHEMBL23875335 0.73 P2RX1 (0.57) MAPTMEN1KMT2AKCNMA1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794172-B1 Orthosubstituted benzoylguanidines HOECHST AG (DE) 2001-10-24 EP claimed
CN-1071318-C Ortho-substd. benzoyl guanidines, their preparing process and use as medicine and diagnostic reagent, and medicine contg. same HOECHST AG (DE) 2001-09-19 CN claimed
EP-0794172-B1 Orthosubstituted benzoylguanidines HOECHST AG (DE) 2001-10-24 EP disclosed
CN-1071318-C Ortho-substd. benzoyl guanidines, their preparing process and use as medicine and diagnostic reagent, and medicine contg. same HOECHST AG (DE) 2001-09-19 CN disclosed
US-6262123-B1 AS ANTIARRHYTHMIC AGENTS HAVING CARDIOPROTECTIVE COMPONENT, FOR PROPHYLAXIS AND TREATMENT OF INFARCTION AND ANGINA PECTORIS; FOR INHIBITION OF PATHOPHYSIOLOGICAL PROCESSES ASSOCIATED WITH GENESIS OF ISCHEMICALLY INDUCED DAMAGE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-07-17 US disclosed
CN-1160042-A Ortho-substd. benzoyl guanidines, their preparing process and use as medicine and diagnostic reagent, and medicine contg. same HOECHST AG (DE) 1997-09-24 CN disclosed
EP-0794172-A1 Orthosubstituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic agent and a medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-10 EP disclosed