SCHEMBL25846347

SCHEMBL25846347

c1ccc2c(c1)Sc1cccc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c-2c13

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.39
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL25845981 0.96 TYMS (0.36) TYMSALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL25846198 0.92 MAPK1 (0.34) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25846338 0.91 DNMT1 (0.36) TYMSALDH1A1HSD17B10
SCHEMBL25846200 0.91 TYMS (0.36) TYMS
SCHEMBL25861930 0.89 TYMS (0.37) TYMSALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL25846341 0.87 TYMS (0.36) TYMS
SCHEMBL25846340 0.85 TYMS (0.35) TYMS
SCHEMBL25845267 0.85 TYMS (0.45) TYMSALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL25845977 0.84 TYMS (0.38) TYMSALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL25847313 0.83 ALDH1A1 (0.34) TYMSALDH1A1L3MBTL1TSHRMAPK1

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