SCHEMBL9989656

SCHEMBL9989656

COc1ccc(-n2nc(CCC(=O)NCc3ccccc3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.53
RXRA P19793 2/20 0.52
RXRB P28702 2/20 0.52
RXRG P48443 2/20 0.52
TSHR P16473 1/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RPA1 P27694 1/20 0.47
RCE1 Q9Y256 1/20 0.47
SLC16A3 O15427 1/20 0.46
SLC16A1 P53985 1/20 0.46
MCTS1 Q9ULC4 1/20 0.46
CCKAR P32238 2/20 0.45
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44

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 0.96 RXRA (0.51) MALT1RXRARXRBRXRGTP53
SCHEMBL9988567 0.95 MALT1 (0.55) MALT1RXRARXRBRXRGTP53
SCHEMBL9988490 0.93 LMNA (0.49) MALT1RXRARXRBRXRGTP53
SCHEMBL9989011 0.92 RXRA (0.48) MALT1RXRARXRBRXRGTP53
SCHEMBL9988536 0.92 RXRA (0.48) MALT1RXRARXRBRXRGTP53
SCHEMBL9989355 0.92 MALT1 (0.62) MALT1RXRARXRBRXRGTSHR
SCHEMBL9988463 0.92 RXRA (0.54) MALT1RXRARXRBRXRGTP53
SCHEMBL9988534 0.91 MALT1 (0.55) MALT1RXRARXRBRXRGLMNA
SCHEMBL9988512 0.91 MALT1 (0.57) MALT1RXRARXRBRXRGTP53
SCHEMBL9988527 0.91 RXRA (0.48) 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 claimed