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SCHEMBL31740

SCHEMBL31740

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HDAC4 P56524 1/20 0.34
▸ TSPO P30536 1/20 0.32
▸ PGR P06401 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
SCHEMBL12200622 0.97 KDM4E (0.37) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL12195950 0.96 TSPO (0.37) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL13620187 0.96 KDM4E (0.38) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL15852937 0.96 KDM4E (0.38) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL17446029 0.96 KDM4E (0.38) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL24255809 0.96 KDM4E (0.38) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL30396957 0.96 KDM4E (0.38) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL31695 0.96 KDM4E (0.41) KDM4EATML3MBTL1PGRPDK2
SCHEMBL21369335 0.95 KDM4E (0.34) KDM4EATML3MBTL1HDAC4TSPO
SCHEMBL19129709 0.95 KDM4E (0.34) 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