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SCHEMBL10043804

SCHEMBL10043804

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7ccccc76)ccc4-5)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ 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
SCHEMBL12367333 0.98 PDK2 (0.34) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL12367341 0.98 PDK2 (0.33) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL12367330 0.98 PDK2 (0.32) PDK2KDM4EATML3MBTL1HDAC4
SCHEMBL12367581 0.98 KDM4E (0.34) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL10029886 0.98 KDM4E (0.34) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL12367339 0.97 PDK2 (0.33) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL12367580 0.97 CAMK2D (0.32) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL26003143 0.97 KDM4E (0.33) PDK2KDM4EATML3MBTL1HDAC4
SCHEMBL12367575 0.96 TSPO (0.36) PDK2KDM4EATML3MBTL1TSPO
SCHEMBL12367329 0.96 PDK2 (0.34) PDK2KDM4EATML3MBTL1HDAC4

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-2012015265-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD (KR) 2012-02-02 — — WO disclosed