SCHEMBL9989142

SCHEMBL9989142

COc1cccc(-c2cc(CCC(=O)NCc3cccc(F)c3)nn2-c2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MALT1 Q9UDY8 1/20 0.48
SLC16A3 O15427 3/20 0.47
SLC16A1 P53985 3/20 0.47
MCTS1 Q9ULC4 2/20 0.47
MAPT P10636 3/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
DGAT2 Q96PD7 1/20 0.44
THRB P10828 1/20 0.44
EPHX2 P34913 2/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL9990141 0.93 RXRA (0.51) CA1CA2CA9MALT1SLC16A3
SCHEMBL9989540 0.93 MALT1 (0.52) CA1CA2CA9MALT1SLC16A3
SCHEMBL9988456 0.91 SLC16A3 (0.53) CA1CA2CA9MALT1SLC16A3
SCHEMBL9988567 0.90 MALT1 (0.55) MALT1RXRARXRBRXRGALOX5
SCHEMBL9988527 0.90 RXRA (0.48) CA1CA2CA9MALT1MAPT
SCHEMBL9988505 0.89 RXRA (0.47) CA1CA2CA9MALT1SLC16A3
SCHEMBL9989656 0.89 MALT1 (0.53) MALT1SLC16A3SLC16A1MCTS1MAPT
SCHEMBL9989011 0.88 RXRA (0.48) MALT1MAPTRXRARXRBRXRG
SCHEMBL9988536 0.88 RXRA (0.48) CA1CA2CA9MALT1SLC16A3
SCHEMBL9988853 0.88 MAPT (0.48) MALT1SLC16A3SLC16A1MCTS1MAPT

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