SCHEMBL23027583

SCHEMBL23027583

c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)c6ccccc56)c4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
PRKDC P78527 4/20 0.37
F9 P00740 1/20 0.37
SLC9A1 P19634 2/20 0.36
LIMK1 P53667 3/20 0.36
PARP14 Q460N5 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
MAPT P10636 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PIM3 Q86V86 1/20 0.32
DNPH1 O43598 1/20 0.32

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
SCHEMBL23027562 0.98 ALOX5 (0.48) ALOX5PRKDCF9SLC9A1LIMK1
SCHEMBL23027587 0.98 ALOX5 (0.51) ALOX5PRKDCF9SLC9A1LIMK1
SCHEMBL23027516 0.98 ALOX5 (0.53) ALOX5PRKDCF9SLC9A1LIMK1
SCHEMBL23027602 0.96 ALOX5 (0.52) ALOX5PRKDCF9SLC9A1LIMK1
SCHEMBL23027533 0.96 ALOX5 (0.52) ALOX5PRKDCF9SLC9A1LIMK1
SCHEMBL23027484 0.96 ALOX5 (0.52) ALOX5PRKDCF9SLC9A1LIMK1
SCHEMBL23027584 0.96 ALOX5 (0.54) ALOX5PRKDCF9SLC9A1LIMK1
SCHEMBL27294390 0.95 ALOX5 (0.51) ALOX5PRKDCF9SLC9A1LIMK1
SCHEMBL23027585 0.95 ALOX5 (0.50) ALOX5PRKDCF9SLC9A1LIMK1
SCHEMBL23027530 0.95 ALOX5 (0.53) ALOX5PRKDCF9LIMK1PARP14

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