SCHEMBL20114152

SCHEMBL20114152

c1ccc(-c2ccc(N3c4ccccc4Sc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc43)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGER4 P35408 1/20 0.31
TSPO P30536 1/20 0.30
HDAC4 P56524 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
SCHEMBL20114178 0.99 KDM4E (0.33) HDAC6KDM4EATML3MBTL1PTGER4
SCHEMBL20114050 0.98 KDM4E (0.33) HDAC6KDM4EATML3MBTL1PTGER4
SCHEMBL20114825 0.97 ATM (0.33) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL17278458 0.94 KDM4E (0.38) HDAC6KDM4EATML3MBTL1PTGER4
SCHEMBL20114271 0.93 ATM (0.37) HDAC6KDM4EATML3MBTL1TSPO
SCHEMBL20114244 0.93 PTGER4 (0.30) HDAC6PTGER4
SCHEMBL20114430 0.93 BCHE (0.33)
SCHEMBL20114851 0.92 ATM (0.38) HDAC6KDM4EATML3MBTL1TSPO
SCHEMBL20114047 0.92 ATM (0.38) HDAC6KDM4EATML3MBTL1TSPO
SCHEMBL20114284 0.91 KDM4E (0.33) HDAC6KDM4EATML3MBTL1

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