SCHEMBL21180587

SCHEMBL21180587

c1ccc2c(c1)cc(-c1cccc3c1oc1ccccc13)c1cc3oc4ccccc4c3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
PRKDC P78527 5/20 0.42
AHR P35869 3/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL14725738 0.91 ALOX5 (0.50) ALOX5PRKDCAHRPIK3CDPIK3CB
SCHEMBL16302981 0.88 ALOX5 (0.58) ALOX5PRKDCAHRPIK3CDPIK3CB
SCHEMBL1635355 0.88 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL1637794 0.86 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL4549396 0.86 ALOX5 (0.56) ALOX5PRKDCAHRPIK3CDPIK3CB
SCHEMBL4549370 0.86 ALOX5 (0.56) ALOX5PRKDCAHRPIK3CDPIK3CB
SCHEMBL4549368 0.86 ALOX5 (0.56) ALOX5PRKDCAHRPIK3CDPIK3CB
SCHEMBL4549369 0.85 ALOX5 (0.59) ALOX5PRKDCAHRPIK3CDPIK3CB
SCHEMBL27329380 0.84 ALOX5 (0.46) ALOX5PRKDCAHRPIK3CDPIK3CB
SCHEMBL22707614 0.83 ALOX5 (0.50) ALOX5PRKDCAHRPIK3CDPIK3CB

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
US-10361380-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 US disclosed