SCHEMBL7734767

SCHEMBL7734767

COc1cc(Cn2c(=O)[nH]c3cc(F)cc(CC(=O)Cl)c32)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ENPP1 P22413 1/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
TP53 P04637 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL7734611 0.91 POLB (0.40) KDM4EKMT2AMEN1RXFP1MAPT
SCHEMBL7734586 0.87 ALDH1A1 (0.42) KDM4EKMT2AMEN1RXFP1MAPT
SCHEMBL7739420 0.84 MAPT (0.50) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL7740723 0.81 MEN1 (0.36) KDM4EKMT2AMEN1RXFP1MAPT
SCHEMBL7739350 0.80 KDM4E (0.43) KDM4EKMT2AMEN1RXFP1MAPT
SCHEMBL7739561 0.77 KDM4E (0.42) KDM4EKMT2AMEN1RXFP1SMN1; SMN2
SCHEMBL7740373 0.76 KMT2A (0.43) KDM4EKMT2AMEN1RXFP1MAPT
SCHEMBL7740065 0.75 MAPT (0.50) KDM4EKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL7734550 0.74 GRIN1 (0.50) KDM4EKMT2AMEN1RXFP1MAPT
SCHEMBL7740710 0.73 ALDH1A1 (0.45) KDM4EKMT2AMEN1RXFP1MAPT

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