SCHEMBL29703213

SCHEMBL29703213

OC1CSC(Cn2cnc3c(NCc4cccc(Cl)c4)nc(Cl)nc32)C1O

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 13/20 0.86
▸ PPARG P37231 12/20 0.86
▸ ADORA2A P29274 4/20 0.75
▸ ADORA3 P0DMS8 3/20 0.75
▸ ADORA1 P30542 1/20 0.62

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
SCHEMBL29703265 1.00 PPARD (0.86) PPARDPPARGADORA2AADORA3ADORA1
SCHEMBL29703291 0.92 PPARG (1.00) PPARDPPARGADORA2AADORA3ADORA1
SCHEMBL29703217 0.92 PPARG (1.00) PPARDPPARGADORA2AADORA3ADORA1
SCHEMBL29703212 0.91 PPARG (1.00) PPARDPPARGADORA2AADORA3ADORA1
SCHEMBL29703304 0.91 PPARG (1.00) PPARDPPARGADORA2AADORA3ADORA1
SCHEMBL29703284 0.91 PPARG (1.00) PPARDPPARGADORA2AADORA3ADORA1
SCHEMBL29703232 0.91 PPARG (1.00) PPARDPPARGADORA2AADORA3ADORA1
SCHEMBL29703297 0.91 PPARG (1.00) PPARDPPARGADORA2AADORA3ADORA1
SCHEMBL29703220 0.88 PPARD (0.79) PPARDPPARGADORA2AADORA3ADORA1
SCHEMBL29703268 0.88 PPARD (0.79) PPARDPPARGADORA2AADORA3ADORA1

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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