SCHEMBL23027687

SCHEMBL23027687

c1ccc(-c2ccccc2-c2nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)nc(-c3cccc(-c4cccc5sc6c(-c7ccc(-c8nc(-c9ccccc9-c9ccccc9)nc(-c9ccccc9-c9ccccc9)n8)cc7)cccc6c45)c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
LIMK1 P53667 2/20 0.40
PRKDC P78527 6/20 0.36
PARP14 Q460N5 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
F9 P00740 1/20 0.33
SLC9A1 P19634 1/20 0.32
MAPT P10636 2/20 0.32
PIK3CD O00329 2/20 0.31
PIK3CB P42338 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
DNPH1 O43598 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ADORA2B P29275 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21148732 0.93 ALOX5 (0.47) ALOX5LIMK1PRKDCPARP14TNKS
SCHEMBL21148569 0.92 ALOX5 (0.51) ALOX5LIMK1PRKDCPARP14TNKS
SCHEMBL21148733 0.92 ALOX5 (0.51) ALOX5LIMK1PRKDCPARP14TNKS
SCHEMBL23027516 0.92 ALOX5 (0.53) ALOX5LIMK1PRKDCPARP14TNKS
SCHEMBL21425036 0.91 ALOX5 (0.50) ALOX5LIMK1PRKDCPARP14TNKS
SCHEMBL23027533 0.91 ALOX5 (0.52) ALOX5LIMK1PRKDCPARP14TNKS
SCHEMBL23027484 0.91 ALOX5 (0.52) ALOX5LIMK1PRKDCPARP14TNKS
SCHEMBL23027602 0.91 ALOX5 (0.52) ALOX5LIMK1PRKDCPARP14TNKS
SCHEMBL21149135 0.91 ALOX5 (0.46) ALOX5LIMK1PRKDCPARP14TNKS
SCHEMBL23027584 0.91 ALOX5 (0.54) ALOX5LIMK1PRKDCPARP14TNKS

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