Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6125704

Cc1ccc(Nc2nccc(NCc3ccc4c(S(C)(=O)=O)n(S(C)(=O)=O)nc4c3)n2)cc1S(N)(=O)=O.Cl

nearest known ligand 0.56

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
▸ CSF1R known ✓ P07333 5/20 0.46
▸ KDR known ✓ P35968 4/20 0.46
▸ JAK2 known ✓ O60674 3/20 0.46
▸ LCK known ✓ P06239 2/20 0.46
▸ RET known ✓ P07949 2/20 0.46
▸ KIT known ✓ P10721 2/20 0.46
▸ FGFR1 known ✓ P11362 2/20 0.46
▸ SRC known ✓ P12931 2/20 0.46
▸ FLT1 known ✓ P17948 2/20 0.46
▸ FGFR3 known ✓ P22607 2/20 0.46
▸ FLT4 known ✓ P35916 2/20 0.46
▸ FLT3 known ✓ P36888 2/20 0.46
▸ ALK known ✓ Q9UM73 2/20 0.46
▸ ABL1 known ✓ P00519 1/20 0.46
▸ CA2 known ✓ P00918 1/20 0.46
▸ MET known ✓ P08581 1/20 0.46
▸ PDGFRB known ✓ P09619 1/20 0.46
▸ PDGFRA known ✓ P16234 1/20 0.46
▸ ACHE known ✓ P22303 1/20 0.46
▸ EGFR known ✓ P00533 1/20 0.35

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 SCHEMBL159486 0.85 BTK (0.77) BTKCSF1RTYK2LYNSYK
Hydrochloric Acid SCHEMBL935691 0.85 BTK (0.76) BTKCSF1RTYK2LYNSYK
SCHEMBL724300 0.84 BTK (0.79) BTKCSF1RTYK2LYNSYK
SCHEMBL4427732 0.84 BTK (0.75) BTKCSF1RTYK2LYNSYK
Hydrochloric Acid SCHEMBL6125705 0.80 KDR (0.72) BTKCSF1RTYK2LYNSYK
SCHEMBL725543 0.77 BTK (0.67) BTKCSF1RTYK2LYNSYK
Hydrochloric Acid SCHEMBL4976684 0.76 BTK (0.50) BTKCSF1RTYK2LYNSYK
Hydrochloric Acid SCHEMBL4979291 0.76 BTK (0.50) BTKCSF1RTYK2LYNSYK
Hydrochloric Acid SCHEMBL4980298 0.76 BTK (0.49) BTKCSF1RTYK2LYNSYK
Hydrochloric Acid SCHEMBL4980031 0.76 BTK (0.49) BTKCSF1RTYK2LYNSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640384-A1 PRESELECTION OF SUBJECTS FOR THERAPEUTIC TREATMENT WITH OXYGEN SENSITIVE AGENTS BASED ON HYPOXIC STATUS Synta Pharmaceuticals Corp. (US) 2013-09-25 — — EP disclosed
WO-2012068487-A1 PRESELECTION OF SUBJECTS FOR THERAPEUTIC TREATMENT WITH OXYGEN SENSITIVE AGENTS BASED ON HYPOXIC STATUS SYNTA PHARMACEUTICALS CORP. (US) 2012-05-24 — — WO disclosed
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