SCHEMBL25845727

SCHEMBL25845727

c1ccc2c(c1)Sc1cc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4c3ccc3ccccc43)cc3cccc-2c13

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.31
NQO2 P16083 1/20 0.30
TYMS P04818 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
SCHEMBL25845831 0.91 ANPEP (0.32) ANPEPNQO2TYMS
SCHEMBL25845720 0.89 ANPEP (0.31) ANPEPTYMS
SCHEMBL25845966 0.89 TYMS (0.34) TYMS
SCHEMBL25863508 0.89 ANPEP (0.32) ANPEP
SCHEMBL25853821 0.88 NQO2 (0.32) ANPEPNQO2
SCHEMBL25845827 0.88 ANPEP (0.31) ANPEPNQO2
SCHEMBL25845725 0.88 TYMS (0.32) ANPEPTYMS
SCHEMBL25863467 0.88 ANPEP (0.32) ANPEP
SCHEMBL25845823 0.88 ANPEP (0.32) ANPEP
SCHEMBL25845826 0.83 MAPK1 (0.33) TYMS

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