SCHEMBL25844900

SCHEMBL25844900

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc4c(c3)-c3cccc5cccc(c35)S4)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

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
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL25844531 0.97 TYMS (0.39) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25844899 0.95 MAPK1 (0.37) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25844901 0.93 TYMS (0.40) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25844421 0.92 TYMS (0.37) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25870750 0.92 TYMS (0.39) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25844720 0.91 ALDH1A1 (0.36) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25870462 0.91 TYMS (0.38) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25844411 0.91 TYMS (0.40) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25870263 0.91 TYMS (0.40) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25844909 0.90 TYMS (0.39) TYMSALDH1A1TSHRMAPK1HSD17B10

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