SCHEMBL31782

SCHEMBL31782

CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK8 P45983 1/20 0.32

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
SCHEMBL31862 0.94 KDM4E (0.40) KDM4EATML3MBTL1MAPK8
SCHEMBL9921628 0.94 KDM4E (0.39) KDM4EATML3MBTL1
SCHEMBL10029905 0.94 KDM4E (0.39) KDM4EATML3MBTL1
SCHEMBL15138063 0.94 KDM4E (0.39) KDM4EATML3MBTL1
SCHEMBL16675639 0.94 KDM4E (0.38) KDM4EATML3MBTL1
SCHEMBL31695 0.93 KDM4E (0.41) KDM4EATML3MBTL1MAPK8
SCHEMBL1593388 0.93 KDM4E (0.44) KDM4EATML3MBTL1MAPK8
SCHEMBL13518235 0.93 KDM4E (0.44) KDM4EATML3MBTL1MAPK8
SCHEMBL29373577 0.93 KDM4E (0.44) KDM4EATML3MBTL1MAPK8
SCHEMBL10003801 0.92 KDM4E (0.38) KDM4EATML3MBTL1MAPK8

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-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 WO disclosed