SCHEMBL17880958

SCHEMBL17880958

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)cc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.32
HDAC4 P56524 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18015407 0.98 KDM4E (0.33) DUSP3KDM4EATML3MBTL1
SCHEMBL22244450 0.95 KDM4E (0.34) DUSP3KDM4EATML3MBTL1
SCHEMBL21430368 0.94 KDM4E (0.32) DUSP3KDM4EATML3MBTL1
SCHEMBL21430370 0.93 KDM4E (0.32) DUSP3KDM4EATML3MBTL1
SCHEMBL21446110 0.93 KDM4E (0.33) DUSP3KDM4EATML3MBTL1
SCHEMBL21446363 0.93
SCHEMBL21430369 0.92 TSPO (0.31) DUSP3KDM4EATML3MBTL1
SCHEMBL31700 0.92 HDAC4 (0.30) HDAC4
SCHEMBL26255180 0.92 HDAC4 (0.30) HDAC4
SCHEMBL23078200 0.92 DUSP3 (0.32) DUSP3

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-2016105123-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-30 WO disclosed