SCHEMBL31791

SCHEMBL31791

c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
PRKDC P78527 1/20 0.34
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PARP14 Q460N5 1/20 0.31
APP P05067 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
SCHEMBL10108534 0.95 ALOX5 (0.39) ALOX5PRKDCHSD17B10KDM4EATM
SCHEMBL10108543 0.95 ALOX5 (0.40) ALOX5PRKDCHSD17B10KDM4EATM
SCHEMBL19130047 0.94 HSD17B10 (0.36) ALOX5HSD17B10KDM4EATML3MBTL1
SCHEMBL31685 0.94 HSD17B10 (0.36) ALOX5HSD17B10KDM4EATML3MBTL1
SCHEMBL19129711 0.93 HSD17B10 (0.35) ALOX5HSD17B10KDM4EATML3MBTL1
SCHEMBL19129550 0.93 HSD17B10 (0.35) ALOX5HSD17B10KDM4EATML3MBTL1
SCHEMBL16641312 0.92 ALOX5 (0.45) ALOX5PRKDCPARP14APP
SCHEMBL15615564 0.92 ALOX5 (0.44) ALOX5PRKDCHSD17B10KDM4EATM
SCHEMBL19130112 0.92 HSD17B10 (0.36) ALOX5HSD17B10KDM4EATML3MBTL1
SCHEMBL19129704 0.92 HSD17B10 (0.36) ALOX5HSD17B10KDM4EATML3MBTL1

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-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 WO disclosed