SCHEMBL17740656

SCHEMBL17740656

CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)cc5)ccc43)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
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
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
SCHEMBL21158463 0.98 TSPO (0.34) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15685653 0.96 TSPO (0.36) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15685651 0.96 TSPO (0.36) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL17740744 0.95 HDAC4 (0.32) TSPOHDAC4
SCHEMBL19830273 0.95 KDM4E (0.35) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15685647 0.95 TSPO (0.38) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL22876201 0.94 TSPO (0.34) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL21365131 0.94 TSPO (0.36) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL12367575 0.94 TSPO (0.36) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL16596581 0.94 TSPO (0.36) 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-2016072691-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE USING COMPOSITION FOR ORGANIC ELECTRONIC DEVICE 덕산네오룩스 주식회사 2016-05-12 WO disclosed