Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5953470

CCCCn1c(=O)c(NC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)c(-c2cccc(OCCCO)c2)c2cccnc21.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 2)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.99
ACAT1 P24752 1/20 0.99

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 SCHEMBL5953844 0.99 SOAT1 (1.00) SOAT1ACAT1
SCHEMBL2881680 0.99 ACAT1 (1.00) SOAT1ACAT1
SCHEMBL6635258 0.94 ACAT1 (0.89) SOAT1ACAT1
SCHEMBL31061433 0.93 ACAT1 (0.88) SOAT1ACAT1
SCHEMBL7615047 0.91 ACAT1 (0.85) SOAT1ACAT1
SCHEMBL6639853 0.91 ACAT1 (0.85) SOAT1ACAT1
SCHEMBL7615339 0.89 ACAT1 (0.81) SOAT1ACAT1
SCHEMBL8327206 0.89 ACAT1 (0.81) SOAT1ACAT1
SCHEMBL6632704 0.88 ACAT1 (0.80) SOAT1ACAT1
SCHEMBL8324521 0.88 ACAT1 (0.80) SOAT1ACAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067528-B2 1, 2-dihydro-2-oxo-1, 8-naphthyridine derivative SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2006-06-27 US claimed
US-20040116463-A1 1, 2-dihydro-2-oxo-1, 8-naphthyridine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-06-17 US claimed
CN-1266150-C 1, 2-dihydro-2-oxo-1, 8-naphthyridine derivatives SUMITOMO PHARMA (JP) 2006-07-26 CN disclosed
US-7067528-B2 1, 2-dihydro-2-oxo-1, 8-naphthyridine derivative SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2006-06-27 US disclosed
US-7067528-B2 1, 2-dihydro-2-oxo-1, 8-naphthyridine derivative SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2006-06-27 US disclosed
CN-1545515-A 1, 2-dihydro-2-oxo-1, 8-naphthyridine derivative 住友制药株式会社 2004-11-10 CN disclosed
EP-1420017-A4 1,2-DIHYDRO-2-OXO-1,8-NAPHTHYRIDINE DERIVATIVE SUMITOMO PHARMA (JP) 2004-09-08 EP disclosed
US-20040116463-A1 1, 2-dihydro-2-oxo-1, 8-naphthyridine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-06-17 US disclosed
US-20040116463-A1 1, 2-dihydro-2-oxo-1, 8-naphthyridine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-06-17 US disclosed
EP-1420017-A1 1,2-DIHYDRO-2-OXO-1,8-NAPHTHYRIDINE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-05-19 EP disclosed
EP-1420017-A1 1,2-DIHYDRO-2-OXO-1,8-NAPHTHYRIDINE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-05-19 EP disclosed
WO-2003018581-A1 1,2-DIHYDRO-2-OXO-1,8-NAPHTHYRIDINE DERIVATIVE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2003-03-06 WO disclosed