SCHEMBL23032783

SCHEMBL23032783

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.37
LIMK1 P53667 1/20 0.33
ALOX5 P09917 1/20 0.32
ROCK1 Q13464 1/20 0.32
SLC9A1 P19634 1/20 0.32
CYP1A2 P05177 1/20 0.32
PDK2 Q15119 1/20 0.31
TRIM58 Q8NG06 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
GPR3 P46089 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
F9 P00740 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
SCHEMBL23032782 0.97 PIM3 (0.35) PIM3LIMK1ALOX5ROCK1SLC9A1
SCHEMBL22987012 0.97 PIM3 (0.33) PIM3ALOX5SLC9A1CYP1A2ADORA2A
SCHEMBL23437725 0.96 PIM3 (0.35) PIM3LIMK1ALOX5ROCK1SLC9A1
SCHEMBL24039203 0.96 PIM3 (0.35) PIM3LIMK1ALOX5ROCK1CYP1A2
SCHEMBL23437453 0.96 PIM3 (0.37) PIM3LIMK1ALOX5ROCK1SLC9A1
SCHEMBL23032781 0.94 PIM3 (0.35) PIM3LIMK1ALOX5ROCK1SLC9A1
SCHEMBL23437790 0.94 PIM3 (0.35) PIM3LIMK1ALOX5ROCK1SLC9A1
SCHEMBL23437449 0.94 PIM3 (0.35) PIM3LIMK1ALOX5ROCK1SLC9A1
SCHEMBL23032812 0.94 LIMK1 (0.33) PIM3LIMK1ALOX5SLC9A1PDK2
SCHEMBL23032927 0.94 LIMK1 (0.33) PIM3LIMK1ALOX5SLC9A1PDK2

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-2021033730-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-02-25 WO disclosed