SCHEMBL21763753

SCHEMBL21763753

c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3cccc4c3sc3ccccc34)c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
PARP14 Q460N5 1/20 0.47
GPR3 P46089 1/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
F9 P00740 1/20 0.40
PRKDC P78527 6/20 0.39
LIMK1 P53667 2/20 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
SLC9A1 P19634 1/20 0.36
ENPP1 P22413 1/20 0.34
PTPN1 P18031 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
SCHEMBL124832 0.95 ALOX5 (0.51) ALOX5PARP14GPR3TNKSTNKS2
SCHEMBL29072912 0.93 ALOX5 (0.55) ALOX5PARP14GPR3TNKSTNKS2
SCHEMBL16182150 0.93 ALOX5 (0.55) ALOX5PARP14GPR3TNKSTNKS2
SCHEMBL22707376 0.92 ALOX5 (0.54) ALOX5PARP14GPR3TNKSTNKS2
SCHEMBL21763763 0.91 ALOX5 (0.51) ALOX5PARP14GPR3TNKSTNKS2
SCHEMBL21763769 0.88 ALOX5 (0.49) ALOX5PARP14GPR3TNKSTNKS2
SCHEMBL21763766 0.88 ALOX5 (0.56) ALOX5PARP14GPR3TNKSTNKS2
SCHEMBL17917502 0.87 ALOX5 (0.50) ALOX5PARP14GPR3TNKSTNKS2
SCHEMBL25047304 0.87 ALOX5 (0.45) ALOX5PARP14GPR3TNKSTNKS2
SCHEMBL126450 0.87 ALOX5 (0.53) ALOX5PARP14GPR3TNKSTNKS2

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-2020040514-A1 ORGANIC LIGHT EMITTING DIODE 주식회사 엘지화학 2020-02-27 WO disclosed