SCHEMBL9989423

SCHEMBL9989423

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.48
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
TP53 P04637 4/20 0.41
SRC P12931 2/20 0.40
PANK1 Q8TE04 1/20 0.40
PANK3 Q9H999 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
ILK Q13418 1/20 0.39
THRB P10828 1/20 0.39
ALOX5 P09917 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
SCHEMBL9988509 0.94 MALT1 (0.50) MALT1RXRARXRBRXRGTP53
SCHEMBL9988479 0.92 MALT1 (0.49) MALT1RXRARXRBRXRGTP53
SCHEMBL9988840 0.92 MALT1 (0.52) MALT1RXRARXRBRXRGTP53
SCHEMBL9988866 0.91 MALT1 (0.49) MALT1RXRARXRBRXRGTP53
SCHEMBL9988467 0.90 MALT1 (0.45) MALT1RXRARXRBRXRGTP53
SCHEMBL9989173 0.90 ILK (0.51) MALT1RXRARXRBRXRGTP53
SCHEMBL9988806 0.90 MALT1 (0.47) MALT1RXRARXRBRXRGTP53
SCHEMBL9989011 0.90 RXRA (0.48) MALT1RXRARXRBRXRGTP53
SCHEMBL9988903 0.90 RXRA (0.48) MALT1RXRARXRBRXRGTP53
SCHEMBL9988822 0.90 MALT1 (0.54) MALT1RXRARXRBRXRGTP53

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