Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8203837

C1=CC2=C(c3cccnc3)C3=NC(=C(c4cnc5ccccc5c4)C4=NC(=C(c5cnc6ccccc6c5)C5=NC(=C(c6cccnc6)C1=N2)C=C5)C=C4)C=C3.Cl

nearest known ligand 0.62

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
▸ PDGFRB known ✓ P09619 4/20 0.47
▸ PDGFRA known ✓ P16234 4/20 0.47
▸ PIK3CD known ✓ O00329 2/20 0.43
▸ PIK3CA known ✓ P42336 2/20 0.43
▸ EGFR known ✓ P00533 1/20 0.42
▸ CYP19A1 known ✓ P11511 1/20 0.41
▸ KIT known ✓ P10721 1/20 0.37
▸ CA2 known ✓ P00918 1/20 0.36
▸ CYP2A6 P11509 1/20 0.62
▸ CYP11B1 P15538 2/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ BIRC5 O15392 1/20 0.41
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NISCH Q9Y2I1 1/20 0.39
▸ PIK3CB P42338 1/20 0.38

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
SCHEMBL185113 0.81 CYP2A6 (0.52) CYP2A6CYP11B1CYP17A1CYP19A1CYP11B2
SCHEMBL7246191 0.80 PIK3CD (0.45) CYP2A6PDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL29746239 0.78 CYP2A6 (1.00) CYP2A6PDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL3612716 0.78 CYP2A6 (1.00) CYP2A6PDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL29832072 0.75 CYP2A6 (0.93) CYP2A6PDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL7241348 0.72 KMT2A (0.45) NPC1RAB9AKDM4EPOLBMTOR
SCHEMBL17945834 0.72 CYP2A6 (0.79) CYP2A6PDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL7240131 0.72 AXL (0.42) CYP2A6PIK3CDPIK3CAKDM4ESMN1; SMN2
SCHEMBL17050891 0.70 CYP2A6 (0.77) CYP2A6PDGFRBPDGFRAPIK3CDPIK3CA
SCHEMBL1423059 0.69 CYP2A6 (0.70) CYP2A6PDGFRBPDGFRAEGFRNPC1

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-0988037-A1 PORPHYRIN COMPOUNDS AS TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-03-29 — — EP disclosed
WO-1998033503-A1 PORPHYRIN COMPOUNDS AS TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-08-06 — — WO disclosed
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