SCHEMBL21763763

SCHEMBL21763763

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc34)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
PARP14 Q460N5 1/20 0.45
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
GPR3 P46089 1/20 0.38
PRKDC P78527 6/20 0.38
HSP90AA1 P07900 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CB P42338 2/20 0.36
BRD4 O60885 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRDT Q58F21 1/20 0.36
F9 P00740 1/20 0.35
PTPN1 P18031 1/20 0.35
LIMK1 P53667 3/20 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
SCHEMBL125878 0.94 ALOX5 (0.54) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL21763769 0.91 ALOX5 (0.49) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL21763753 0.91 ALOX5 (0.50) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL126450 0.91 ALOX5 (0.53) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL21450771 0.91 ALOX5 (0.56) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL22705869 0.90 ALOX5 (0.57) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL17945221 0.89 ALOX5 (0.49) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL15138052 0.89 ALOX5 (0.49) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL896680 0.89 ALOX5 (0.59) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL21450758 0.89 ALOX5 (0.58) ALOX5PARP14TNKSTNKS2GPR3

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