SCHEMBL2604813

SCHEMBL2604813

CC1(C)c2cc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)c3ccccc3n5-c3ccccc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21

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
TSPO P30536 1/20 0.32
HDAC4 P56524 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
SCHEMBL11887525 0.94 TSPO (0.37) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL24923547 0.94 TSPO (0.37) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL802507 0.94 L3MBTL1 (0.39) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL802535 0.93 KDM4E (0.34) KDM4EATML3MBTL1TSPO
SCHEMBL802056 0.93 KDM4E (0.38) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL802624 0.93 KDM4E (0.35) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL2604790 0.93 KDM4E (0.34) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL2604773 0.93 KDM4E (0.34) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15752305 0.93 TSPO (0.31) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL12959804 0.92 TSPO (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
US-20120091438-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-04-19 US disclosed