SCHEMBL20114856

SCHEMBL20114856

c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)cc5)ccc43)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSPO P30536 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTGER4 P35408 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
SCHEMBL15469993 0.99 KDM4E (0.38) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL20114169 0.98 TSPO (0.35) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15470049 0.97 KDM4E (0.38) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15469983 0.97 L3MBTL1 (0.39) KDM4EATML3MBTL1HDAC4HDAC6
SCHEMBL15469982 0.96 KDM4E (0.37) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15470032 0.94 KDM4E (0.37) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL10309966 0.93 L3MBTL1 (0.43) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL20114172 0.92 HDAC6 (0.32) KDM4EATML3MBTL1TSPOHDAC6
SCHEMBL20114042 0.92 L3MBTL1 (0.42) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL15470182 0.92 L3MBTL1 (0.42) 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-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed