SCHEMBL29703223

SCHEMBL29703223

OC1COC(Cn2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 12/20 1.00
▸ PPARG P37231 10/20 1.00
▸ ADORA3 P0DMS8 6/20 0.73
▸ ADORA2A P29274 4/20 0.73
▸ ADORA1 P30542 3/20 0.73

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
SCHEMBL29703298 1.00 PPARD (1.00) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703275 1.00 PPARD (1.00) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703234 0.91 PPARD (1.00) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703273 0.91 PPARD (1.00) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703294 0.91 PPARD (0.85) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703216 0.91 PPARD (0.85) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703283 0.90 PPARD (1.00) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703229 0.90 PPARD (1.00) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703226 0.90 PPARD (1.00) PPARDPPARGADORA3ADORA2AADORA1
SCHEMBL29703227 0.87 PPARD (0.77) PPARDPPARGADORA3ADORA2AADORA1

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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