SCHEMBL31695

SCHEMBL31695

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PGR P06401 1/20 0.33
PDK2 Q15119 2/20 0.32
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 0.99 KDM4E (0.40) KDM4EATML3MBTL1PGRPDK2
SCHEMBL31739 0.98 KDM4E (0.39) KDM4EATML3MBTL1PGRPDK2
SCHEMBL31740 0.96 KDM4E (0.38) KDM4EATML3MBTL1PGRPDK2
SCHEMBL31493379 0.94 KDM4E (0.41) KDM4EATML3MBTL1PGRPDK2
SCHEMBL401420 0.94 KDM4E (0.41) KDM4EATML3MBTL1PGRPDK2
SCHEMBL22507366 0.94 KDM4E (0.39) KDM4EATML3MBTL1PGRPDK2
SCHEMBL17722209 0.94 KDM4E (0.39) KDM4EATML3MBTL1PGRPDK2
SCHEMBL16675639 0.94 KDM4E (0.38) KDM4EATML3MBTL1PGR
SCHEMBL22901107 0.93 KDM4E (0.36) KDM4EATML3MBTL1PDK2
SCHEMBL802076 0.93 KDM4E (0.39) KDM4EATML3MBTL1PGRPDK2

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