SCHEMBL31739

SCHEMBL31739

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PGR P06401 1/20 0.32
PDK2 Q15119 2/20 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
SCHEMBL31695 0.98 KDM4E (0.41) KDM4EATML3MBTL1PGRPDK2
SCHEMBL31862 0.97 KDM4E (0.40) KDM4EATML3MBTL1PGRPDK2
SCHEMBL16675639 0.96 KDM4E (0.38) KDM4EATML3MBTL1PGR
SCHEMBL14330763 0.96 KDM4E (0.41) KDM4EATML3MBTL1PGRPDK2
SCHEMBL8928270 0.96 KDM4E (0.41) KDM4EATML3MBTL1PGRPDK2
SCHEMBL14032414 0.96 KDM4E (0.43) KDM4EATML3MBTL1PGRPDK2
SCHEMBL8928259 0.96 KDM4E (0.43) KDM4EATML3MBTL1PGRPDK2
SCHEMBL9916970 0.96 KDM4E (0.43) KDM4EATML3MBTL1PGRPDK2
SCHEMBL30874215 0.96 KDM4E (0.43) KDM4EATML3MBTL1PGRPDK2
SCHEMBL12200622 0.95 KDM4E (0.37) 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