SCHEMBL20077874

SCHEMBL20077874

C1=CC(c2ccccc2)CC(n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc32)=C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGER4 P35408 4/20 0.33
TSPO P30536 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 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
SCHEMBL26456567 0.99 HDAC4 (0.41) HDAC4KDM4EATML3MBTL1PTGER4
SCHEMBL26178246 0.94 L3MBTL1 (0.41) HDAC4KDM4EATML3MBTL1PTGER4
SCHEMBL19452632 0.92 HDAC4 (0.35) HDAC4KDM4EATML3MBTL1PTGER4
SCHEMBL21300839 0.92 KDM4E (0.36) HDAC4KDM4EATML3MBTL1PTGER4
SCHEMBL5028223 0.90 KDM4E (0.36) HDAC4KDM4EATML3MBTL1PTGER4
SCHEMBL25117363 0.86
SCHEMBL25720592 0.86 KIF11 (0.32)
SCHEMBL27333558 0.85 KDM4E (0.36) HDAC4KDM4EATML3MBTL1
SCHEMBL23228154 0.85 PTGER4 (0.32) PTGER4TSPO
SCHEMBL26283393 0.85 PTGER4 (0.31) HDAC4PTGER4

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-2018070773-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-04-19 WO disclosed