SCHEMBL9990096

SCHEMBL9990096

COc1ccc(-n2nc(CCC(=O)NCc3cccs3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
TSHR P16473 4/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
USP2 O75604 2/20 0.45
MALT1 Q9UDY8 2/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GFER P55789 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9989681 0.88 RXRA (0.48) RXRARXRBRXRGTSHRMAPK1
SCHEMBL9990141 0.87 RXRA (0.51) LMNATP53RXRARXRBRXRG
SCHEMBL9989656 0.86 MALT1 (0.53) LMNATP53RXRARXRBRXRG
SCHEMBL9989046 0.86 TP53 (0.50) LMNATP53RXRARXRBRXRG
SCHEMBL9988490 0.85 LMNA (0.49) LMNATP53RXRARXRBRXRG
SCHEMBL9989011 0.84 RXRA (0.48) LMNATP53RXRARXRBRXRG
SCHEMBL9990073 0.84 RXRA (0.48) LMNATP53RXRARXRBRXRG
SCHEMBL9988536 0.84 RXRA (0.48) LMNATP53RXRARXRBRXRG
SCHEMBL9988516 0.84 RXRA (0.48) LMNATP53RXRARXRBRXRG
SCHEMBL9989578 0.84 RXRA (0.47) LMNATP53RXRARXRBRXRG

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