Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8092520

Cl.Cl.N=C(N)NC(=O)COc1ccc2cc(C(=O)NC(=N)N)ccc2c1

nearest known ligand 0.47

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
PPARG known ✓ P37231 2/20 0.45
KLKB1 known ✓ P03952 1/20 0.40
PLAU P00749 3/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.45
NCOA2 Q15596 2/20 0.45
NCOA1 Q15788 2/20 0.45
NCOA3 Q9Y6Q9 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
POLB P06746 3/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
F2 P00734 2/20 0.43
THRB P10828 1/20 0.43
MCL1 Q07820 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
RECQL P46063 2/20 0.41

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
SCHEMBL8184301 0.99 PLAU (0.48) PLAUMEN1KMT2APPARGHTT
SCHEMBL5431376 0.81 PLAU (0.66) PLAUF2PLGKLKB1PRSS1
SCHEMBL5440163 0.79 PLAU (0.57) PLAURAB9AF2HPGDCYP2C19
SCHEMBL30071591 0.79 PLAU (0.57) PLAURAB9AF2HPGDCYP2C19
Hydrochloric Acid SCHEMBL8092504 0.78 MAOB (0.46) PLAUKMT2AHTTNPSR1POLB
Hydrochloric Acid SCHEMBL8106154 0.77 MCHR1 (0.48) PLAUF2PLGKLKB1PRSS1
Hydrochloric Acid SCHEMBL8700251 0.77 PLAU (0.58) PLAUMEN1KMT2ARAB9AF2
SCHEMBL8185321 0.77 MAOB (0.47) PLAUKMT2AMAPT
SCHEMBL8189320 0.76 MCHR1 (0.49) PLAUF2PLGKLKB1PRSS1
SCHEMBL5430957 0.75 PLAU (0.59) PLAUMEN1KMT2ARAB9AF2

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
US-6087304-A ANTIARRHYTHMIC PHARMACEUTICALS HAVING A CARDIOPROTECTIVE COMPONENT FOR INFARCT PROPHYLAXIS AND INFARCT TREATMENT AND FOR THE TREATMENT OF ANGINA PECTORIS HOECHST AKTIENGESELLSCHAFT (DE) 2000-07-11 US claimed
EP-0810206-B1 Substituted 2-naphthoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicament containing them HOECHST AG (DE) 2000-12-27 EP disclosed
US-6087304-A ANTIARRHYTHMIC PHARMACEUTICALS HAVING A CARDIOPROTECTIVE COMPONENT FOR INFARCT PROPHYLAXIS AND INFARCT TREATMENT AND FOR THE TREATMENT OF ANGINA PECTORIS HOECHST AKTIENGESELLSCHAFT (DE) 2000-07-11 US disclosed
EP-0810206-A1 Substituted 2-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-03 EP disclosed