SCHEMBL2537569

SCHEMBL2537569

NC(=O)C(Nc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
PDGFRA P16234 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPKAPK2 P49137 1/20 0.54
RPS6KA1 Q15418 1/20 0.54
AURKB Q96GD4 1/20 0.54
CSNK1G1 Q9HCP0 1/20 0.54
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
GFER P55789 2/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SYK P43405 4/20 0.44
EPHX1 P07099 1/20 0.43
CTSD P07339 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL11260997 0.88 CYP3A4 (0.48) CYP3A4CYP2C9PDGFRAMAPK1MAPKAPK2
SCHEMBL28568153 0.84 SYK (0.52) CYP3A4CYP2C9PDGFRAMAPK1MAPKAPK2
SCHEMBL2483519 0.83 FPR2 (0.49) MAPK1POLBMAPTKDM4EALDH1A1
SCHEMBL2483521 0.83 FPR2 (0.49) MAPK1POLBMAPTKDM4EALDH1A1
SCHEMBL146704 0.83 FPR2 (0.49) MAPK1POLBMAPTKDM4EALDH1A1
SCHEMBL16838610 0.83 MAPT (0.50) CYP3A4CYP2C9PDGFRAMAPK1MAPKAPK2
SCHEMBL28534876 0.82 FPR2 (0.47) MAPK1KMT2AGAAGFERPOLB
SCHEMBL23715809 0.81 NPC1 (0.50) CYP3A4CYP2C9PDGFRAMAPK1MAPKAPK2
SCHEMBL23716088 0.80 ALDH1A1 (0.47) CYP3A4CYP2C9PDGFRAMAPK1MAPKAPK2
SCHEMBL3839169 0.80 ALDH1A1 (0.47) CYP3A4CYP2C9PDGFRAMAPK1MAPKAPK2

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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200097-B1 METHOD FOR CONTROLLING THE FIDELITY AND THE PROCESSIVITY OF REVERSE TRANSCRIPTASE BY INCORPORATING AND POLYMERISING NUCLEOTIDE ANALOGUES ACCEPTED AS SUBSTRATES OF THE REVERSE TRANSCRIPTION RESPONSE WITHOUT BLOCKING ITS ELONGATION VIGILENT TECHNOLOGIES (FR) 2014-01-08 EP claimed
US-6925388-B1 Heterocyclic nonnucleoside inhibitors of reverse transcriptase PARKER HUGHES INSTITUTE (US) 2005-08-02 US claimed
US-6727059-B1 ADMINISTERING A NUCLEOSIDE ANALOG THAT HAS A 3' HYDROXYL GROUP LOCATED ON THE C3' CARBON OF THE 2'-DEOXYRIBOSE, FOR EXAMPLE DUTP; FOR RETROID VIRUS INFECTIONS SUCH AS HIV; MIXTURE WITH REVERSE TRANSCRIPTASE INHIBITORS SUCH AS AZT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-04-27 US claimed
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO claimed
WO-2003075010-A2 NON-PEPTIDE IMMUNOLOGIC TRACER PRECURSORS COMPRISING A TYROSYL-(X)N OR LYSINE-(X)N TYROSINE MOTIF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE -CNRS- (FR) 2003-09-12 WO claimed
EP-1200097-A2 METHOD FOR CONTROLLING THE FIDELITY AND THE EXECUTION OF REVERSE TRANSCRIPTASE BY INCORPORATING AND POLYMERISING NUCLEOTIDE ANALOGUES ACCEPTED AS SUBSTRATES OF THE REVERSE TRANSCRIPTION RESPONSE WITHOUT BLOCKING ITS ELONGATION Vigilent Technologies (FR) 2002-05-02 EP claimed
WO-2000067698-A2 METHOD FOR CONTROLLING THE FIDELITY AND EXECUTION OF REVERSE TRANSCRIPTASE BY INCORPORATING AND POLYMERISING NUCLEOTIDE ANALOGUES ACCEPTABLE AS SUBSTRATES WITHOUT BLOCKING ITS ELONGATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-11-16 WO claimed
WO-1997016543-A9 STRUCTURE BASED DESIGN OF INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE 1997-07-24 WO claimed
WO-1997016543-A1 STRUCTURE BASED DESIGN OF INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY (US) 1997-05-09 WO claimed
CN-101031550-B HIV inhibiting 5-carbo- or heterocyclic substituted pyrimidines TIBOTEC PHARM LTD 2015-05-27 CN disclosed
CN-101816658-B HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA NV 2014-08-27 CN disclosed
EP-1200097-B1 METHOD FOR CONTROLLING THE FIDELITY AND THE PROCESSIVITY OF REVERSE TRANSCRIPTASE BY INCORPORATING AND POLYMERISING NUCLEOTIDE ANALOGUES ACCEPTED AS SUBSTRATES OF THE REVERSE TRANSCRIPTION RESPONSE WITHOUT BLOCKING ITS ELONGATION VIGILENT TECHNOLOGIES (FR) 2014-01-08 EP disclosed
CN-1668305-B Microbicidal pyrimidines or triazines for the prevention of sexual transmission of HIV TIBOTEC PHARM LTD 2013-06-12 CN disclosed
US-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
WO-1997005864-A2 USE OF L-CARNITINE AND DERIVATIVES FOR REDUCING CERAMIDE LEVELS AND POTENTIATING ANTIRETROVIRAL DRUGS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1997-02-20 WO disclosed
WO-1996016675-A2 COMPOSITION FOR PREVENTION AND TREATMENT OF HIV-1 INFECTION COMPRISING AT LEAST TWO DIFFERENT HIV-1 REVERSE TRANSCRIPTASE INHIBITORS REGA INSTITUTE (BE) 1996-06-06 WO disclosed
CN-1118137-A Method of reversing zidovudine resistance of HIV-1 strains JANSSEN PHARMACEUTICA NV (BE) 1996-03-06 CN disclosed
WO-1996000068-A2 COMBINATION THERAPY FOR HIV INFECTION MERCK & CO., INC. (US) 1996-01-04 WO disclosed
EP-0639971-A1 THERAPEUTIC COMBINATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-01 EP disclosed
WO-1993023021-A2 THERAPEUTIC COMBINATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1993-11-25 WO disclosed