SCHEMBL31829

SCHEMBL31829

CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

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 0.31
HDAC4 P56524 1/20 0.30
PDK2 Q15119 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
SCHEMBL31649 0.96 KDM4E (0.38) KDM4EATML3MBTL1PGR
SCHEMBL31662 0.96 KDM4E (0.35) KDM4EATML3MBTL1HDAC4
SCHEMBL15582882 0.95 KDM4E (0.39) KDM4EATML3MBTL1PGRHDAC4
SCHEMBL31697 0.94 KDM4E (0.36) KDM4EATML3MBTL1HDAC4
SCHEMBL15583107 0.94 KDM4E (0.37) KDM4EATML3MBTL1PGR
SCHEMBL16675622 0.94 TSPO (0.35) KDM4EATML3MBTL1HDAC4
SCHEMBL15582988 0.94 KDM4E (0.37) KDM4EATML3MBTL1PGR
SCHEMBL16773588 0.93 PGR (0.31) PGRPDK2
SCHEMBL31871 0.93 KDM4E (0.36) KDM4EATML3MBTL1HDAC4
SCHEMBL31620 0.93 KDM4E (0.33) KDM4EATML3MBTL1

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