SCHEMBL25844412

SCHEMBL25844412

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc4c(c3)Sc3cccc5cccc-4c35)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.41
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
PDK2 Q15119 17/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL25844223 0.97 TYMS (0.39) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25844309 0.95 ALDH1A1 (0.37) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25861712 0.95 ALDH1A1 (0.37) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25861716 0.94 TYMS (0.38) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25844411 0.93 TYMS (0.40) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25844415 0.92 TYMS (0.37) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25844410 0.91 ALDH1A1 (0.36) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25844224 0.91 TYMS (0.38) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25844901 0.91 TYMS (0.40) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25845961 0.90 PDK2 (0.33) TYMSPDK2

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