SCHEMBL31756

SCHEMBL31756

CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c3c21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC4 P56524 1/20 0.32
DUSP3 P51452 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
SCHEMBL31655 0.99 KDM4E (0.35) KDM4EATML3MBTL1HDAC4DUSP3
SCHEMBL31713 0.99 KDM4E (0.32) KDM4EATML3MBTL1HDAC4DUSP3
SCHEMBL31849 0.99 KDM4E (0.32) KDM4EATML3MBTL1HDAC4DUSP3
SCHEMBL31700 0.95 HDAC4 (0.30) HDAC4
SCHEMBL23603557 0.95 KDM4E (0.35) KDM4EATML3MBTL1DUSP3
SCHEMBL15752451 0.94
SCHEMBL17245687 0.93 L3MBTL1 (0.37) KDM4EATML3MBTL1HDAC4DUSP3
SCHEMBL20615903 0.93 PDK2 (0.30)
SCHEMBL15752492 0.92 PDK2 (0.31) KDM4EATML3MBTL1
SCHEMBL17231168 0.92

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