SCHEMBL23299591

SCHEMBL23299591

c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4c(c3)oc3c(-c5ccccc5)cccc34)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
PRKDC P78527 6/20 0.39
KDM4E B2RXH2 4/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CG P48736 3/20 0.34
ALDH1A1 P00352 3/20 0.33
BRD4 O60885 2/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GGPS1 O95749 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL26761384 0.98 ALOX5 (0.38) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL23913228 0.97 ALOX5 (0.44) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL25965167 0.96 ALOX5 (0.37) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL24097560 0.96 ALOX5 (0.46) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL25965131 0.95 PRKDC (0.36) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16185748 0.94 ALOX5 (0.45) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL24882795 0.94 ALOX5 (0.39) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL25965111 0.94 ALOX5 (0.37) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL24153068 0.94 ALOX5 (0.42) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL25926442 0.94 ALOX5 (0.42) ALOX5PRKDCKDM4EATML3MBTL1

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-2021080368-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-04-29 WO disclosed