SCHEMBL23027540

SCHEMBL23027540

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)c5)cc4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
LIMK1 P53667 4/20 0.38
PARP14 Q460N5 1/20 0.37
PRKDC P78527 4/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
F9 P00740 1/20 0.36
PIM3 Q86V86 1/20 0.36
MAPT P10636 2/20 0.36
SLC9A1 P19634 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ALOX15 P16050 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
SCHEMBL23027528 0.99 ALOX5 (0.50) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23027551 0.99 ALOX5 (0.53) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23027559 0.99 ALOX5 (0.50) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23027545 0.99 ALOX5 (0.50) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23027603 0.99 ALOX5 (0.50) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23027542 0.99 ALOX5 (0.50) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23027531 0.99 ALOX5 (0.50) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23027585 0.99 ALOX5 (0.50) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23027602 0.97 ALOX5 (0.52) ALOX5LIMK1PARP14PRKDCTNKS
SCHEMBL23027599 0.97 ALOX5 (0.51) ALOX5LIMK1PARP14PRKDCTNKS

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