SCHEMBL25845725

SCHEMBL25845725

c1ccc2c(c1)Sc1cc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)cc3cccc-2c13

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ANPEP P15144 1/20 0.31
UQCRB P14927 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
SCHEMBL25856073 0.91
SCHEMBL25845720 0.90 ANPEP (0.31) TYMSANPEP
SCHEMBL25845966 0.89 TYMS (0.34) TYMSALDH1A1HPGDTSHRMAPK1
SCHEMBL25845726 0.89 PDK2 (0.31)
SCHEMBL25845727 0.88 ANPEP (0.31) TYMSANPEP
SCHEMBL25845724 0.88
SCHEMBL25855794 0.86
SCHEMBL25856214 0.85
SCHEMBL25856068 0.84 TYMS (0.31) TYMS
SCHEMBL25863465 0.84 PDK2 (0.33) TYMSALDH1A1HPGDTSHRMAPK1

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-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed