SCHEMBL16867289

SCHEMBL16867289

c1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccccc3c3c4c5ccccc5sc4c4c5ccccc5sc4c32)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
PRKDC P78527 5/20 0.36
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PARP14 Q460N5 1/20 0.34
TP53 P04637 1/20 0.33
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
BRD4 O60885 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRDT Q58F21 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 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
SCHEMBL19986006 0.94 ALOX5 (0.45) ALOX5PRKDCMAPTRXFP1PARP14
SCHEMBL16866930 0.92 ALOX5 (0.45) ALOX5PRKDCMAPTRXFP1PARP14
SCHEMBL18687766 0.91 ALOX5 (0.44) ALOX5PRKDCMAPTRXFP1PARP14
SCHEMBL17405702 0.89 ALOX5 (0.34) ALOX5MAPTRXFP1TP53
SCHEMBL16867292 0.88 ALOX5 (0.45) ALOX5PRKDCPARP14TP53PIK3CD
SCHEMBL23309006 0.88 ALOX5 (0.44) ALOX5PRKDCMAPTRXFP1PARP14
SCHEMBL23960976 0.87 MAPT (0.37) ALOX5MAPTRXFP1TP53TNKS
SCHEMBL17405412 0.87 ALOX5 (0.34) ALOX5MAPTRXFP1TP53
SCHEMBL21152357 0.85 ALOX5 (0.55) ALOX5PRKDCMAPTRXFP1PARP14
SCHEMBL19985951 0.85 ALOX5 (0.35) ALOX5MAPTRXFP1TP53BRDT

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-2015099507-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUND, AND MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-07-02 WO disclosed