SCHEMBL9565731

SCHEMBL9565731

Cc1cc(C=C2C(=O)N(C)C(=O)N(c3ccc(Cl)cc3)C2=O)cc(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
ERO1A Q96HE7 1/20 0.45
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
EEF2K O00418 1/20 0.43
SRC P12931 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 6/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
POLB P06746 2/20 0.39
PSMD14 O00487 1/20 0.39

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
SCHEMBL9565730 1.00 LRRK2 (0.46) LRRK2ERO1AALOX5PTGS1PTGS2
SCHEMBL9565687 0.88 SIRT1 (0.54) ALOX5PTGS1PTGS2EEF2KSRC
SCHEMBL9565688 0.88 SIRT1 (0.54) ALOX5PTGS1PTGS2EEF2KSRC
SCHEMBL9565691 0.74 MEN1 (0.48) PTGS1PTGS2EEF2KSRCSIRT1
SCHEMBL9565692 0.74 MEN1 (0.48) PTGS1PTGS2EEF2KSRCSIRT1
SCHEMBL9129353 0.72 SIRT1 (0.57) ALOX5PTGS1PTGS2EEF2KSRC
SCHEMBL9565707 0.72 MAPT (0.68) SIRT1KMT2AMEN1GAAMAPT
SCHEMBL9565708 0.72 MAPT (0.68) SIRT1KMT2AMEN1GAAMAPT
SCHEMBL9129357 0.72 SIRT1 (0.57) ALOX5PTGS1PTGS2EEF2KSRC
SCHEMBL11387780 0.72 MEN1 (0.50) KMT2AMEN1MAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546661-A1 Pyrimidine derivatives, method for preparation thereof and pharmaceutical composition having said derivatives as active elements JAPAN ENERGY CORPORATION (JP) 1993-06-16 EP disclosed