SCHEMBL31643

SCHEMBL31643

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4N6c4ccccc4)cc3)cc21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL17617048 0.92 KDM4E (0.33) HDAC4KDM4EATML3MBTL1
SCHEMBL802093 0.89 HDAC4 (0.35) HDAC4KDM4EATML3MBTL1
SCHEMBL802085 0.89 HDAC4 (0.33) HDAC4KDM4EATML3MBTL1
SCHEMBL31645 0.89 KDM4E (0.36) HDAC4KDM4EATML3MBTL1
SCHEMBL31740 0.89 KDM4E (0.38) HDAC4KDM4EATML3MBTL1
SCHEMBL15722547 0.89 PGR (0.31)
SCHEMBL15722544 0.89 PGR (0.31)
SCHEMBL803067 0.88 KDM4E (0.34) HDAC4KDM4EATML3MBTL1
SCHEMBL802644 0.88 KDM4E (0.34) HDAC4KDM4EATML3MBTL1
SCHEMBL19129709 0.88 KDM4E (0.34) HDAC4KDM4EATML3MBTL1

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