SCHEMBL25869461

SCHEMBL25869461

c1ccc2c(c1)Sc1ccc(-c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc5ccccc5c43)c3cccc-2c13

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.33
TYMS P04818 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ANPEP P15144 1/20 0.30

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
SCHEMBL25878623 0.95 TYMS (0.35) DNMT1TYMSALDH1A1TSHRMAPK1
SCHEMBL25869214 0.91 TYMS (0.30) TYMS
SCHEMBL25869571 0.90 DNMT1 (0.36) DNMT1TYMSALDH1A1TSHRMAPK1
SCHEMBL25869463 0.90 TYMS (0.33) TYMSALDH1A1TSHRMAPK1ATM
SCHEMBL25845377 0.90 TYMS (0.35) TYMSALDH1A1TSHRMAPK1HSD17B10
SCHEMBL25869473 0.90 CRHBP (0.31) TYMS
SCHEMBL25868987 0.89
SCHEMBL25845478 0.89 DNMT1 (0.34) DNMT1TYMSALDH1A1ANPEP
SCHEMBL25845368 0.89 TYMS (0.34) TYMSALDH1A1TSHRMAPK1ATM
SCHEMBL25845583 0.88 TYMS (0.31) 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