SCHEMBL21763764

SCHEMBL21763764

c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5cccc6c5sc5ccccc56)c4)c4ccccc34)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.61
PRKDC P78527 3/20 0.42
PARP14 Q460N5 1/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
F9 P00740 1/20 0.38
GPR3 P46089 1/20 0.37
LIMK1 P53667 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CD O00329 1/20 0.36
BRD4 O60885 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 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
PTPN1 P18031 4/20 0.35
PIM3 Q86V86 1/20 0.35
MAPT P10636 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
SCHEMBL1687955 0.97 ALOX5 (0.60) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL21763767 0.95 ALOX5 (0.58) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL10443222 0.95 ALOX5 (0.56) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL10442616 0.95 ALOX5 (0.56) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL10443109 0.93 ALOX5 (0.57) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL10443066 0.93 ALOX5 (0.57) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL10443205 0.93 ALOX5 (0.57) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL10443106 0.93 ALOX5 (0.57) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL21687078 0.92 ALOX5 (0.58) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL896317 0.92 ALOX5 (0.58) 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
WO-2020040514-A1 ORGANIC LIGHT EMITTING DIODE 주식회사 엘지화학 2020-02-27 WO disclosed