SCHEMBL21180622

SCHEMBL21180622

c1ccc2c(c1)cc(-c1cccc3c1sc1ccccc13)c1cc3oc4ccccc4c3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
PRKDC P78527 7/20 0.42
PARP14 Q460N5 1/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
BRD4 O60885 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
KCNH2 Q12809 1/20 0.38
BRDT Q58F21 1/20 0.38
AHR P35869 2/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14725742 0.94 ALOX5 (0.44) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL16472842 0.94 ALOX5 (0.44) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL16472944 0.91 ALOX5 (0.41) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL21180584 0.89 ALOX5 (0.43) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL16472834 0.88 ALOX5 (0.41) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL15460250 0.88 ALOX5 (0.45) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL16472886 0.86 ALOX5 (0.38) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL16472683 0.86 ALOX5 (0.38) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL15460334 0.85 ALOX5 (0.43) ALOX5PRKDCPARP14PIK3CDPIK3CB
SCHEMBL16472824 0.84 ALOX5 (0.40) ALOX5PRKDCPARP14PIK3CDPIK3CB

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