Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8137291

Cl.O=C(O)c1cn(-c2ccc(F)cn2)c2nc(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.61

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
EDNRA known ✓ P25101 1/20 0.61
FLT4 known ✓ P35916 1/20 0.52
SLC6A3 known ✓ Q01959 1/20 0.52
TOP2A known ✓ P11388 5/20 0.46
TOP2B known ✓ Q02880 4/20 0.46
DPP4 known ✓ P27487 5/20 0.44
TOP1 known ✓ P11387 1/20 0.42
LMNA P02545 6/20 0.61
CYP2C9 P11712 2/20 0.61
ATP6V1B2 P21281 1/20 0.61
TBXA2R P21731 1/20 0.61
TARBP2 Q15633 1/20 0.61
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 4/20 0.53
KMT2A Q03164 2/20 0.53
EPHA2 P29317 1/20 0.52
GSK3B P49841 1/20 0.52
RARB P10826 1/20 0.52

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
SCHEMBL8137023 0.99 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL8138553 0.89 KMT2A (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8124523 0.88 KMT2A (0.54) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL8136151 0.88 KMT2A (0.55) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8129992 0.87 KMT2A (0.55) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8138591 0.86 LMNA (0.54) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL10551298 0.86 KMT2A (0.70) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL4902751 0.86 LMNA (0.66) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL8123019 0.85 EPHA2 (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL312827 0.85 KMT2A (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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
EP-0713487-B1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARM IND CO LTD (KR) 2000-04-19 EP disclosed
EP-0713487-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 1996-05-29 EP disclosed
US-5496947-A BACTERICIDES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 1996-03-05 US disclosed
WO-1995005373-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO., LTD. (KR) 1995-02-23 WO disclosed