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SCHEMBL31871

SCHEMBL31871

CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSPO P30536 2/20 0.35
▸ HDAC4 P56524 1/20 0.33
▸ PTGER4 P35408 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
SCHEMBL16675622 0.99 TSPO (0.35) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL31793 0.96 KDM4E (0.36) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15583007 0.95 KDM4E (0.34) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL31662 0.95 KDM4E (0.35) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL14960742 0.94 KDM4E (0.35) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL10014053 0.94 TSPO (0.33) KDM4EATML3MBTL1TSPO
SCHEMBL31697 0.94 KDM4E (0.36) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL2609855 0.93 KDM4E (0.35) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15306406 0.93 KDM4E (0.37) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15306452 0.93 KDM4E (0.37) KDM4EATML3MBTL1TSPOHDAC4

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