SCHEMBL26569840

SCHEMBL26569840

c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccccc4)c4cccc5c4sc4ccccc45)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
LIMK1 P53667 1/20 0.35
F9 P00740 1/20 0.34
PARP14 Q460N5 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
SLC9A1 P19634 1/20 0.32
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HIF1A Q16665 1/20 0.30
GPR3 P46089 1/20 0.30
CDK4 P11802 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
SCHEMBL26568545 0.95 ALOX5 (0.38) ALOX5LIMK1F9PARP14ALDH1A1
SCHEMBL26569834 0.95 ALOX5 (0.40) ALOX5LIMK1F9PARP14ALDH1A1
SCHEMBL26584946 0.94 ALOX5 (0.43) ALOX5LIMK1F9PARP14ALDH1A1
SCHEMBL26588244 0.94 ALOX5 (0.39) ALOX5LIMK1F9PARP14ALDH1A1
SCHEMBL26588186 0.93 F9 (0.37) ALOX5LIMK1F9PARP14SLC9A1
SCHEMBL21096898 0.93 ALOX5 (0.41) ALOX5LIMK1F9PARP14ALDH1A1
SCHEMBL26584941 0.92 ALOX5 (0.44) ALOX5LIMK1F9PARP14ALDH1A1
SCHEMBL26584939 0.92 ALOX5 (0.36) ALOX5LIMK1F9PARP14
SCHEMBL26588239 0.92 F9 (0.36) ALOX5LIMK1F9PARP14SLC9A1
SCHEMBL26588508 0.92 ALOX5 (0.44) ALOX5LIMK1F9PARP14ALDH1A1

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-2023182323-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-09-28 WO disclosed