SCHEMBL12613380

SCHEMBL12613380

c1ccc2c(c1)oc1c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccncc6)cc5)c5ccccc45)cc3)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
MAPK14 Q16539 2/20 0.45
GGPS1 O95749 1/20 0.39
PRKDC P78527 4/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CB P42338 1/20 0.38
JAK2 O60674 1/20 0.37
ZAP70 P43403 1/20 0.37
SYK P43405 1/20 0.37
HSD17B10 Q99714 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL12613043 0.99 ALOX5 (0.54) ALOX5MAPK14GGPS1PRKDCPIK3CD
SCHEMBL12613051 0.92 ALOX5 (0.54) ALOX5MAPK14GGPS1PRKDCPIK3CD
SCHEMBL125801 0.89 ALOX5 (0.62) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL12613424 0.89 ALOX5 (0.53) ALOX5MAPK14GGPS1PRKDCPIK3CD
SCHEMBL15195370 0.88 ALOX5 (0.57) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL12613353 0.88 ALOX5 (0.52) ALOX5MAPK14GGPS1PRKDCPIK3CD
SCHEMBL12613406 0.87 ALOX5 (0.48) ALOX5GGPS1PRKDCHSD17B10KDM4E
SCHEMBL1687989 0.86 ALOX5 (0.59) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL25544078 0.86 ALOX5 (0.50) ALOX5MAPK14GGPS1PRKDCPIK3CD
SCHEMBL25543812 0.86 ALOX5 (0.50) ALOX5MAPK14GGPS1PRKDCPIK3CD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 US disclosed
US-8502201-B2 Light-emitting element TORAY INDUSTRIES, INC. (JP) 2013-08-06 US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 US disclosed
US-20110121268-A1 LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2011-05-26 US disclosed