SCHEMBL21763769

SCHEMBL21763769

c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4cccc5c4sc4ccccc45)c4ccccc34)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
PARP14 Q460N5 1/20 0.43
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PRKDC P78527 7/20 0.39
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
BRD4 O60885 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
KCNH2 Q12809 1/20 0.37
BRDT Q58F21 1/20 0.37
F9 P00740 1/20 0.37
GPR3 P46089 1/20 0.36
LIMK1 P53667 2/20 0.35
PTPN1 P18031 1/20 0.34
PIM3 Q86V86 1/20 0.34
MAPT P10636 1/20 0.33
MAP3K8 P41279 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
SCHEMBL124850 0.94 ALOX5 (0.51) ALOX5PARP14TNKSTNKS2PRKDC
SCHEMBL21763767 0.91 ALOX5 (0.58) ALOX5PARP14TNKSTNKS2PRKDC
SCHEMBL21763763 0.91 ALOX5 (0.51) ALOX5PARP14TNKSTNKS2PRKDC
SCHEMBL22180818 0.89 ALOX5 (0.50) ALOX5PARP14TNKSTNKS2PRKDC
SCHEMBL21763766 0.89 ALOX5 (0.56) ALOX5PARP14TNKSTNKS2PRKDC
SCHEMBL21131674 0.88 ALOX5 (0.51) ALOX5PARP14TNKSTNKS2PRKDC
SCHEMBL21763753 0.88 ALOX5 (0.50) ALOX5PARP14TNKSTNKS2PRKDC
SCHEMBL21763764 0.87 ALOX5 (0.61) ALOX5PARP14TNKSTNKS2PRKDC
SCHEMBL1687955 0.87 ALOX5 (0.60) ALOX5PARP14TNKSTNKS2PRKDC
SCHEMBL18165277 0.86 ALOX5 (0.50) ALOX5PARP14TNKSTNKS2PRKDC

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