SCHEMBL25845969

SCHEMBL25845969

CC1(C)c2ccccc2-c2ccc(-c3cc4c5c(cccc5c3)-c3ccccc3S4)cc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.33
TYMS P04818 1/20 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
SCHEMBL25863513 0.93 ALDH1A1 (0.33) PDK2TYMS
SCHEMBL25846809 0.93 TYMS (0.34) PDK2TYMS
SCHEMBL25845721 0.93 TYMS (0.31) TYMS
SCHEMBL25844416 0.90 TYMS (0.39) PDK2TYMS
SCHEMBL25845961 0.88 PDK2 (0.33) PDK2TYMS
SCHEMBL25863512 0.88
SCHEMBL25844907 0.86 TYMS (0.38) PDK2TYMS
SCHEMBL25845975 0.86 PDK2 (0.32) PDK2
SCHEMBL25861564 0.86 TYMS (0.33) PDK2TYMS
SCHEMBL25845722 0.85 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