SCHEMBL9988942

SCHEMBL9988942

COc1ccc(-n2nc(CCC(=O)NCc3cccc(C)c3)cc2-c2cccc(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
CCKAR P32238 2/20 0.42
MAPT P10636 3/20 0.42
MALT1 Q9UDY8 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
PSMD14 O00487 1/20 0.42
POLB P06746 1/20 0.42
PAX8 Q06710 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL9989283 0.94 TP53 (0.45) TP53RXRARXRBRXRGCCKAR
SCHEMBL9990226 0.93 RXRA (0.44) TP53RXRARXRBRXRGMAPT
SCHEMBL9988729 0.93 MALT1 (0.48) TP53RXRARXRBRXRGMALT1
SCHEMBL9989048 0.91 RXRA (0.49) TP53RXRARXRBRXRGCCKAR
SCHEMBL9988654 0.90 RXRA (0.44) TP53RXRARXRBRXRGMAPT
SCHEMBL9990205 0.89 RXRA (0.46) TP53RXRARXRBRXRGMALT1
SCHEMBL9988502 0.89 CCKAR (0.43) TP53RXRARXRBRXRGCCKAR
SCHEMBL9989284 0.86 TP53 (0.51) TP53RXRARXRBRXRGMAPT
SCHEMBL9989011 0.86 RXRA (0.48) TP53RXRARXRBRXRGCCKAR
SCHEMBL9988493 0.85 MALT1 (0.56) TP53RXRARXRBRXRGCCKAR

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
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed