SCHEMBL7734550

SCHEMBL7734550

COc1cc(Cn2c(=O)[nH]c3cc(F)ccc32)cc(OC)c1OC

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.50
GRIN2B Q13224 8/20 0.50
PARG Q86W56 1/20 0.45
DAO P14920 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.42
PPARG P37231 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
SCHEMBL7739342 0.86 KDM4E (0.52) GRIN1GRIN2BKMT2AMEN1MAPT
SCHEMBL7742336 0.84 LMNA (0.57) KMT2AMEN1MAPTKDM4E
SCHEMBL21113764 0.83 GRIN1 (0.52) GRIN1GRIN2BHSD17B10KDM4E
SCHEMBL7734611 0.75 POLB (0.40) KMT2AMEN1MAPTRXFP1KDM4E
SCHEMBL21113905 0.75 GRIN1 (0.49) GRIN1GRIN2BPARGHSD17B10KDM4E
SCHEMBL7734767 0.74 KDM4E (0.40) GRIN1GRIN2BKMT2AMEN1MAPT
SCHEMBL4077298 0.74 CYP1A2 (0.60) PARGDAOKMT2AMEN1
SCHEMBL21115761 0.73 GRIN1 (0.54) GRIN1GRIN2BKMT2AMEN1HSD17B10
SCHEMBL7739420 0.72 MAPT (0.50) KMT2AMEN1MAPTHSD17B10KDM4E
SCHEMBL7734586 0.72 ALDH1A1 (0.42) KMT2AMEN1MAPTMAPK1RXFP1

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
US-6420410-B1 ADMINISTERING N,N'-SUBSTITUTED BENZIMIDAZOL-2-ONES TO INDUCE APOPTOSIS IN NEOPLASTIC CELLS BUT NOT NORMAL CELLS; ANTICANCER, ANTITUMOR AGENT CELL PATHWAYS, INC. 2002-07-16 US disclosed