Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6722635

CC1(CN)CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1=NOCc1ccccc1.Cl

nearest known ligand 0.51

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 12)

geneUniProtsupporting neighboursconfidence
CACNA1F known ✓ O60840 1/20 0.51
CACNA1D known ✓ Q01668 1/20 0.51
KCNH2 known ✓ Q12809 1/20 0.51
CACNA1S known ✓ Q13698 1/20 0.51
CACNA1C known ✓ Q13936 1/20 0.51
TOP2A known ✓ P11388 1/20 0.45
TOP2B known ✓ Q02880 1/20 0.45
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
GSK3B P49841 17/20 0.50
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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 SCHEMBL6722632 1.00 CACNA1F (0.51) CACNA1FPOLBMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL5261012 0.90 KCNH2 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL5261003 0.90 KCNH2 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL5261008 0.90 KCNH2 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL5262121 0.90 KCNH2 (0.55) CACNA1FPOLBMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL5265531 0.89 KCNH2 (0.56) CACNA1FPOLBMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL5265526 0.89 KCNH2 (0.56) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL5261839 0.88 KCNH2 (0.56) CACNA1FPOLBMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL5263111 0.88 KCNH2 (0.51) CACNA1FPOLBMAPK1CACNA1DKCNH2
Hydrochloric Acid SCHEMBL5263101 0.88 KCNH2 (0.51) CACNA1FPOLBMAPK1CACNA1DKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6753430-B2 GRAM-POSITIVE BACTERIA; METHICILLINE-RESISTANT STAPHYLOCOCCI; NONPHYTOTOXIC; 1,8-NAPHTHYRI-4-DONE DERIVATIVES DONG WHA PHARM. IND. CO., LTD (KR) 2004-06-22 US disclosed
US-20040029915-A1 Optically active quinoline carboxylic acid derivatives with 7-pyrrolidine substituents causing optical activity and a process for the preparation thereof ARIBIO CO., LTD. (KR) 2004-02-12 US disclosed
US-6649763-B1 Nonphototoxic quinolone antibiotics, formed by ketalization and imination of quinoline carboxylic acid in the presence of acid acceptors DONG WHA PHARM. IND. CO., LTD. (KR) 2003-11-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040029915-A1 Optically active quinoline carboxylic acid derivatives with 7-pyrrolidine substituents causing optical activity and a process for the preparation thereof CYP3A7, CYP3A5, NQO2 CACNA1F 3312/4885CACNA1D 2930/4885KCNH2 999/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.