SCHEMBL14979076

SCHEMBL14979076

c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-c3ccc4c(c3)c3c5sc6ccccc6c5ccc3n4-c3ccccc3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LIMK1 P53667 2/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ALOX5 P09917 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PIM3 Q86V86 1/20 0.32
HSD17B10 Q99714 1/20 0.31
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
SCHEMBL27012134 0.95 ATM (0.39) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL24937500 0.94 ATM (0.40) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL24640993 0.93 ATM (0.41) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL16133217 0.92 ALOX5 (0.37) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL14979089 0.91 ALOX5 (0.36) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL23862279 0.91 L3MBTL1 (0.42) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL15137668 0.91 L3MBTL1 (0.42) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL19652743 0.91 L3MBTL1 (0.42) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL17299669 0.91 KDM4E (0.36) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL16133221 0.91 ALOX5 (0.36) KDM4EATML3MBTL1LIMK1TNKS

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-2013073896-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed