SCHEMBL31711

SCHEMBL31711

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)c3cc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC4 P56524 1/20 0.34
TSPO P30536 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
SCHEMBL22901106 1.00 KDM4E (0.35) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL31708 1.00 KDM4E (0.35) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL31682 0.99 KDM4E (0.36) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL10039290 0.99 KDM4E (0.36) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL782432 0.99 KDM4E (0.36) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL802676 0.97 KDM4E (0.33) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL19129709 0.96 KDM4E (0.34) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL802644 0.96 KDM4E (0.34) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL803067 0.96 KDM4E (0.34) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL31662 0.96 KDM4E (0.35) KDM4EATML3MBTL1HDAC4TSPO

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