SCHEMBL29703225

SCHEMBL29703225

OC1CSC(Cn2cnc3c(NCc4cccc(Cl)c4)ncnc32)C1O

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 6/20 0.79
▸ PPARG P37231 6/20 0.79
▸ ADORA2A P29274 11/20 0.74
▸ ADORA1 P30542 9/20 0.74
▸ ADORA3 P0DMS8 8/20 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
SCHEMBL29703268 1.00 PPARD (0.79) PPARDPPARGADORA2AADORA1ADORA3
SCHEMBL29703220 1.00 PPARD (0.79) PPARDPPARGADORA2AADORA1ADORA3
SCHEMBL29703269 0.90 PPARG (0.76) PPARDPPARGADORA2AADORA1ADORA3
SCHEMBL29703218 0.90 PPARG (0.76) PPARDPPARGADORA2AADORA1ADORA3
SCHEMBL29703296 0.89 PPARG (0.76) PPARDPPARGADORA2AADORA1ADORA3
SCHEMBL29703222 0.89 PPARG (0.76) PPARDPPARGADORA2AADORA1ADORA3
SCHEMBL29703267 0.89 PPARG (0.76) PPARDPPARGADORA2AADORA1ADORA3
SCHEMBL29703233 0.89 PPARG (0.76) PPARDPPARGADORA2AADORA1ADORA3
SCHEMBL29703231 0.89 PPARG (0.76) PPARDPPARGADORA2AADORA1ADORA3
SCHEMBL29703213 0.88 PPARD (0.86) PPARDPPARGADORA2AADORA1ADORA3

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
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 claimed
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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