SCHEMBL29703284

SCHEMBL29703284

O[C@@H]1[C@H](O)CS[C@H]1Cn1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 11/20 1.00
▸ PPARD Q03181 11/20 1.00
▸ ADORA3 P0DMS8 4/20 0.75
▸ ADORA2A P29274 4/20 0.75
▸ ADORA1 P30542 2/20 0.63

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
SCHEMBL29703232 1.00 PPARG (1.00) PPARGPPARDADORA3ADORA2AADORA1
SCHEMBL29703304 1.00 PPARG (1.00) PPARGPPARDADORA3ADORA2AADORA1
SCHEMBL29703265 0.91 PPARD (0.86) PPARGPPARDADORA3ADORA2AADORA1
SCHEMBL29703213 0.91 PPARD (0.86) PPARGPPARDADORA3ADORA2AADORA1
SCHEMBL29703217 0.90 PPARG (1.00) PPARGPPARDADORA3ADORA2AADORA1
SCHEMBL29703291 0.90 PPARG (1.00) PPARGPPARDADORA3ADORA2AADORA1
SCHEMBL29703297 0.90 PPARG (1.00) PPARGPPARDADORA3ADORA2AADORA1
SCHEMBL29703212 0.90 PPARG (1.00) PPARGPPARDADORA3ADORA2AADORA1
SCHEMBL29703222 0.86 PPARG (0.76) PPARGPPARDADORA3ADORA2AADORA1
SCHEMBL29703296 0.86 PPARG (0.76) PPARGPPARDADORA3ADORA2AADORA1

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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