SCHEMBL25870460

SCHEMBL25870460

c1cc(-c2ccc3c(c2)-c2cccc4cccc(c24)S3)cc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc4ccccc4c32)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.33
PDK2 Q15119 4/20 0.31

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
SCHEMBL25870749 0.97 TYMS (0.33) TYMSPDK2
SCHEMBL25870262 0.96 TYMS (0.34) TYMSPDK2
SCHEMBL25878210 0.96 TYMS (0.37) TYMS
SCHEMBL25844537 0.94 TYMS (0.34) TYMS
SCHEMBL25870365 0.93 TYMS (0.31) TYMS
SCHEMBL25844231 0.90 TYMS (0.35) TYMSPDK2
SCHEMBL25870462 0.90 TYMS (0.38) TYMSPDK2
SCHEMBL25870457 0.90 TYMS (0.32) TYMS
SCHEMBL25870519 0.90 TYMS (0.32) TYMS
SCHEMBL25844532 0.89 TYMS (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