SCHEMBL529977

SCHEMBL529977

COc1ccc(C(N)=O)c(-c2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.46
FABP3 P05413 1/20 0.46
FABP5 Q01469 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
BCAT2 O15382 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 1/20 0.42
HTT P42858 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
NNMT P40261 1/20 0.41
CDC25B P30305 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 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
SCHEMBL31653573 1.00 FABP4 (0.46) FABP4FABP3FABP5MKNK1MKNK2
SCHEMBL529975 0.88 FABP3 (0.49) FABP4FABP3FABP5MKNK1MKNK2
SCHEMBL23361670 0.87 FABP3 (0.51) FABP4FABP3FABP5MKNK1MKNK2
SCHEMBL9765827 0.84 MAPT (0.49) FABP4FABP3FABP5MKNK1MKNK2
SCHEMBL20552421 0.83 BCAT2 (0.50) FABP4MKNK1MKNK2BCAT2KDM4E
SCHEMBL6509108 0.83 MKNK1 (0.47) FABP4FABP3FABP5MKNK1MKNK2
SCHEMBL28932372 0.83 FABP3 (0.45) FABP4FABP3FABP5MKNK1MKNK2
SCHEMBL2362774 0.81 FABP3 (0.58) FABP4FABP3FABP5BCAT2HTT
SCHEMBL531530 0.81 IKBKB (0.49) FABP4FABP3FABP5MKNK1MKNK2
SCHEMBL5582520 0.79 HK2 (0.48) FABP4FABP3FABP5MKNK1MKNK2

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-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed