Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8742115

Cl.N=C(N)NC(=O)c1cc(Br)c(N)c(Br)c1

nearest known ligand 0.46

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
HDAC1 known ✓ Q13547 1/20 0.38
HDAC6 known ✓ Q9UBN7 1/20 0.38
GAA known ✓ P10253 2/20 0.35
CA2 known ✓ P00918 1/20 0.34
TTR known ✓ P02766 1/20 0.31
GSK3B P49841 1/20 0.46
PLAU P00749 4/20 0.36
PLAT P00750 3/20 0.36
PLG P00747 2/20 0.36
KLK1 P06870 2/20 0.36
MAPT P10636 2/20 0.35
CA1 P00915 1/20 0.34
CA3 P07451 1/20 0.34
CA9 Q16790 1/20 0.34
MTOR P42345 1/20 0.33
F2 P00734 2/20 0.31
F10 P00742 2/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL8742203 0.98 GSK3B (0.47) GSK3BHDAC1HDAC6PLAUPLAT
Hydrochloric Acid SCHEMBL8506406 0.81 HDAC1 (0.39) HDAC1HDAC6PLAUPLATPLG
SCHEMBL8506112 0.79 HDAC1 (0.40) HDAC1HDAC6PLAUPLATPLG
Hydrochloric Acid SCHEMBL8742112 0.79 HSD11B1 (0.45) HDAC1HDAC6PLAUGAACA1
Hydrochloric Acid SCHEMBL8742100 0.79 PLAU (0.37) HDAC1HDAC6PLAUPLATPLG
Hydrochloric Acid SCHEMBL8506201 0.77 HDAC1 (0.41) HDAC1HDAC6PLAUPLATPLG
Hydrochloric Acid SCHEMBL8506235 0.77 MTOR (0.53) GAAMTORLMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL8443391 0.77 PLAU (0.45) PLAUPLATPLGKLK1MAPT
Hydrochloric Acid SCHEMBL9017005 0.76 PLAU (0.44) GSK3BHDAC1HDAC6PLAUPLAT
Hydrochloric Acid SCHEMBL8742150 0.76 PLAU (0.32) HDAC1HDAC6PLAUPLATPLG

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
EP-0603650-B1 3,5-Substituted amino benzoylguanidines, process for their preparation, their use as medicine or diagnostic agent, as well as a medicine containing them HOECHST AG (DE) 1997-04-02 EP claimed
US-5516805-A 3,5-substituted aminobenzoylguanidines, their use as a medicament or diagnostic and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US claimed
EP-0603650-A1 3,5-Substituted amino benzoylguanidines, process for their preparation, their use as medicine or diagnostic agent, as well as a medicine containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-29 EP claimed
EP-0603650-B1 3,5-Substituted amino benzoylguanidines, process for their preparation, their use as medicine or diagnostic agent, as well as a medicine containing them HOECHST AG (DE) 1997-04-02 EP disclosed
US-5516805-A 3,5-substituted aminobenzoylguanidines, their use as a medicament or diagnostic and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
EP-0603650-A1 3,5-Substituted amino benzoylguanidines, process for their preparation, their use as medicine or diagnostic agent, as well as a medicine containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-29 EP disclosed