SCHEMBL22706394

SCHEMBL22706394

c1ccc(-c2c3cccc(-c4cccc5c4sc4ccccc45)c3cc3c(-c4cccc5c4sc4ccccc45)cccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
PRKDC P78527 7/20 0.46
PARP14 Q460N5 1/20 0.46
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
GPR3 P46089 1/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
BRD4 O60885 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
KCNH2 Q12809 1/20 0.39
BRDT Q58F21 1/20 0.39
F9 P00740 1/20 0.39
PTPN1 P18031 1/20 0.36
MAPT P10636 1/20 0.36
SLC9A1 P19634 1/20 0.35
LIMK1 P53667 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL22707326 0.98 ALOX5 (0.55) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL22705869 0.97 ALOX5 (0.57) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL22706270 0.94 ALOX5 (0.52) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL22705920 0.92 ALOX5 (0.55) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL22707376 0.91 ALOX5 (0.54) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL22708231 0.91 ALOX5 (0.54) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL15138052 0.91 ALOX5 (0.49) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL126450 0.89 ALOX5 (0.53) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL20334568 0.89 ALOX5 (0.56) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL1687955 0.88 ALOX5 (0.60) ALOX5PRKDCPARP14TNKSTNKS2

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-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed