SCHEMBL29703269

SCHEMBL29703269

O[C@@H]1[C@H](O)CS[C@H]1Cn1cnc2c(NCc3cccc(F)c3)ncnc21

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.76
▸ PPARD Q03181 4/20 0.76
▸ ADORA2A P29274 10/20 0.74
▸ ADORA1 P30542 8/20 0.74
▸ ADORA3 P0DMS8 7/20 0.74

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
SCHEMBL29703218 1.00 PPARG (0.76) PPARGPPARDADORA2AADORA1ADORA3
SCHEMBL29703233 0.90 PPARG (0.76) PPARGPPARDADORA2AADORA1ADORA3
SCHEMBL29703220 0.90 PPARD (0.79) PPARGPPARDADORA2AADORA1ADORA3
SCHEMBL29703268 0.90 PPARD (0.79) PPARGPPARDADORA2AADORA1ADORA3
SCHEMBL29703225 0.90 PPARD (0.79) PPARGPPARDADORA2AADORA1ADORA3
SCHEMBL29703296 0.90 PPARG (0.76) PPARGPPARDADORA2AADORA1ADORA3
SCHEMBL29703222 0.90 PPARG (0.76) PPARGPPARDADORA2AADORA1ADORA3
SCHEMBL29703267 0.90 PPARG (0.76) PPARGPPARDADORA2AADORA1ADORA3
SCHEMBL29703231 0.90 PPARG (0.76) PPARGPPARDADORA2AADORA1ADORA3
SCHEMBL29703217 0.86 PPARG (1.00) PPARGPPARDADORA2AADORA1ADORA3

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-2022124859-A1 1'-HOMOADENOSNE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HYPOADIPONECTINEMIA-ASSOCIATED DISEASES OR PSORIASIS, CONTAINING SAME AS ACTIVE INGREDIENT 서울대학교산학협력단 2022-06-16 — — WO disclosed
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