SCHEMBL31649

SCHEMBL31649

CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PGR P06401 1/20 0.31
MAPK8 P45983 1/20 0.30

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
SCHEMBL15583107 0.98 KDM4E (0.37) KDM4EATML3MBTL1PGR
SCHEMBL15582988 0.98 KDM4E (0.37) KDM4EATML3MBTL1PGR
SCHEMBL16773588 0.96 PGR (0.31) PGR
SCHEMBL10014052 0.96 PGR (0.33) KDM4EATML3MBTL1PGR
SCHEMBL31829 0.96 KDM4E (0.39) KDM4EATML3MBTL1PGR
SCHEMBL15583007 0.94 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL16282982 0.94 KDM4E (0.37) KDM4EATML3MBTL1PGR
SCHEMBL12117250 0.94 KDM4E (0.40) KDM4EATML3MBTL1MAPK8
SCHEMBL31871 0.93 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL16675639 0.93 KDM4E (0.38) KDM4EATML3MBTL1PGR

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