SCHEMBL25862012

SCHEMBL25862012

c1ccc(C2(c3ccccc3)c3cc(-c4ccc5cccc6c5c4-c4ccccc4S6)ccc3-c3c2ccc2ccccc32)cc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL25855463 0.92
SCHEMBL25861339 0.92 TYMS (0.33) NQO2TYMS
SCHEMBL25854703 0.92 TYMS (0.30) TYMS
SCHEMBL25846196 0.90 TYMS (0.31) TYMS
SCHEMBL25862013 0.89 TYMS (0.30) TYMS
SCHEMBL25846344 0.89 TYMS (0.33) TYMS
SCHEMBL25862017 0.88
SCHEMBL25862123 0.87 TYMS (0.31) TYMS
SCHEMBL25862348 0.86 TYMS (0.32) NQO2TYMS
SCHEMBL25845979 0.86 KDM4E (0.35) 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