SCHEMBL9989173

SCHEMBL9989173

Cc1cccc(CNC(=O)CCc2cc(-c3cccc(F)c3)n(-c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.51
MALT1 Q9UDY8 1/20 0.47
ALOX5 P09917 5/20 0.45
EPHX2 P34913 6/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
CCR1 P32246 1/20 0.43
PTGS2 P35354 5/20 0.42
AKR1C3 P42330 1/20 0.42
TP53 P04637 1/20 0.42
DDT P30046 2/20 0.41
SLC5A1 P13866 1/20 0.41
PTGS1 P23219 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
SCHEMBL9988509 0.92 MALT1 (0.50) MALT1ALOX5RXRARXRBRXRG
SCHEMBL9988479 0.91 MALT1 (0.49) ILKMALT1RXRARXRBRXRG
SCHEMBL9988840 0.91 MALT1 (0.52) MALT1ALOX5RXRARXRBRXRG
SCHEMBL9989423 0.90 MALT1 (0.48) ILKMALT1ALOX5RXRARXRB
SCHEMBL9988720 0.90 EPHX2 (0.46) ILKMALT1ALOX5EPHX2RXRA
SCHEMBL9988866 0.89 MALT1 (0.49) MALT1ALOX5RXRARXRBRXRG
SCHEMBL9989581 0.89 ILK (0.49) ILKMALT1ALOX5EPHX2RXRA
SCHEMBL9988903 0.88 RXRA (0.48) MALT1RXRARXRBRXRGTP53
SCHEMBL9989011 0.88 RXRA (0.48) MALT1ALOX5RXRARXRBRXRG
SCHEMBL9988806 0.88 MALT1 (0.47) ILKMALT1RXRARXRBRXRG

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