SCHEMBL23027666

SCHEMBL23027666

c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
LIMK1 P53667 2/20 0.41
PARP14 Q460N5 1/20 0.40
PRKDC P78527 3/20 0.37
TSHR P16473 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALOX15 P16050 1/20 0.37
ADORA2B P29275 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
F9 P00740 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
GPR55 Q9Y2T6 1/20 0.36
MAPT P10636 3/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL23027675 1.00 ALOX5 (0.52) ALOX5LIMK1PARP14PRKDCTSHR
SCHEMBL23027513 0.99 ALOX5 (0.51) ALOX5LIMK1PARP14PRKDCTSHR
SCHEMBL23027676 0.99 ALOX5 (0.51) ALOX5LIMK1PARP14PRKDCTSHR
SCHEMBL23024898 0.99 ALOX5 (0.51) ALOX5LIMK1PARP14PRKDCTSHR
SCHEMBL23027673 0.99 ALOX5 (0.51) ALOX5LIMK1PARP14PRKDCTSHR
SCHEMBL23027494 0.99 ALOX5 (0.51) ALOX5LIMK1PARP14PRKDCTSHR
SCHEMBL23027688 0.99 ALOX5 (0.51) ALOX5LIMK1PARP14PRKDCTSHR
SCHEMBL21563736 0.99 ALOX5 (0.54) ALOX5LIMK1PARP14PRKDCTSHR
SCHEMBL23024848 0.97 ALOX5 (0.50) ALOX5LIMK1PARP14PRKDCTSHR
SCHEMBL23025062 0.97 ALOX5 (0.50) ALOX5LIMK1PARP14PRKDCTSHR

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-2021033731-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-02-25 WO disclosed