Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8134836

CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cn2)CCN1.Cl

nearest known ligand 0.58

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
▸ TOP2A known ✓ P11388 1/20 0.47
▸ TOP2B known ✓ Q02880 1/20 0.47
▸ KCNH2 known ✓ Q12809 2/20 0.47
▸ HRH3 known ✓ Q9Y5N1 1/20 0.47
▸ PRKD3 known ✓ O94806 1/20 0.45
▸ OPRM1 known ✓ P35372 1/20 0.45
▸ TOP1 known ✓ P11387 2/20 0.43
▸ DRD3 known ✓ P35462 1/20 0.42
▸ FLT4 known ✓ P35916 1/20 0.41
▸ SLC6A3 known ✓ Q01959 1/20 0.41
▸ ALDH1A1 P00352 9/20 0.58
▸ KDM4E B2RXH2 8/20 0.58
▸ HPGD P15428 7/20 0.58
▸ HSD17B10 Q99714 7/20 0.58
▸ LMNA P02545 5/20 0.58
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ PMP22 Q01453 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL8131363 0.99 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL27351294 0.91 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL8138667 0.91 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL8131272 0.90 LMNA (0.53) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL8122247 0.88 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL8129182 0.88 LMNA (0.75) ALDH1A1KDM4EHPGDHSD17B10LMNA
Temafloxacin SCHEMBL134293 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10LMNA
Temafloxacin SCHEMBL2637551 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10LMNA
(S)-Temafloxacin SCHEMBL193405 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL8123703 0.87 LMNA (0.73) ALDH1A1KDM4EHPGDHSD17B10LMNA

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
EP-0713487-B1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARM IND CO LTD (KR) 2000-04-19 — — 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
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