SCHEMBL20114178

SCHEMBL20114178

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc(-c7ccc8c(c7)Sc7ccccc7N8c7ccccc7)cc6)ccc54)c3)n2)cc1

nearest known ligand 0.34

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
HDAC6 Q9UBN7 1/20 0.32
PTGER4 P35408 1/20 0.32
TSPO P30536 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
SCHEMBL20114152 0.99 HDAC6 (0.33) KDM4EATML3MBTL1HDAC6PTGER4
SCHEMBL20114050 0.99 KDM4E (0.33) KDM4EATML3MBTL1HDAC6PTGER4
SCHEMBL20114825 0.98 ATM (0.33) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL17278458 0.93 KDM4E (0.38) KDM4EATML3MBTL1HDAC6PTGER4
SCHEMBL20114851 0.93 ATM (0.38) KDM4EATML3MBTL1HDAC6TSPO
SCHEMBL20114047 0.93 ATM (0.38) KDM4EATML3MBTL1HDAC6TSPO
SCHEMBL20114284 0.92 KDM4E (0.33) KDM4EATML3MBTL1HDAC6
SCHEMBL20114236 0.92 PTGER4 (0.32) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL20114183 0.92 HDAC6 (0.33) KDM4EATML3MBTL1HDAC6PTGER4
SCHEMBL20114819 0.92 HDAC6 (0.33) KDM4EATML3MBTL1HDAC6PTGER4

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