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Sugi Predict / Compounds / SCHEMBL28896565

SCHEMBL28896565

SCHEMBL28896565

CCOC(=O)NC(=S)N(CCOC1(C(F)(F)F)CCCC1)c1cc[nH]c1C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ ADORA2B P29275 2/20 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
SCHEMBL28896539 0.99 CA12 (0.30) CA12CA1CA2CA9ADORA2B
SCHEMBL28896615 0.98 CA12 (0.31) CA12CA1CA2CA9ADORA2B
SCHEMBL28896186 0.89 ADORA2B (0.30) ADORA2B
SCHEMBL29211265 0.88 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL28896225 0.86 ADORA2B (0.31) ADORA2B
SCHEMBL28896496 0.86 ATM (0.34) —
SCHEMBL28896332 0.81 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL28896607 0.78 ATM (0.38) —
SCHEMBL21530683 0.77 KMT2A (0.39) CA12CA1CA2CA9
SCHEMBL34461784 0.76 RAB9A (0.39) CA12CA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 — — CN disclosed
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 — — CN disclosed