SCHEMBL29558937

SCHEMBL29558937

O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1S

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 8/20 0.66
▸ P2RY2 P41231 16/20 0.62
▸ P2RY4 P51582 5/20 0.62
▸ NT5E P21589 1/20 0.59

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
SCHEMBL28360509 0.91 UMPS (0.66) P2RY6P2RY2P2RY4
SCHEMBL29558587 0.87 P2RY6 (0.66) P2RY6P2RY2P2RY4NT5E
SCHEMBL29558698 0.87 P2RY6 (0.66) P2RY6P2RY2P2RY4NT5E
SCHEMBL29185234 0.85 NT5E (0.67) P2RY6P2RY2P2RY4NT5E
SCHEMBL18574264 0.85 NT5E (0.67) P2RY6P2RY2P2RY4NT5E
SCHEMBL14946397 0.85 NT5E (0.67) P2RY6P2RY2P2RY4NT5E
SCHEMBL14929505 0.85 NT5E (0.67) P2RY6P2RY2P2RY4NT5E
N-Acetylglucosamine SCHEMBL28708744 0.85 P2RY14 (0.58) P2RY6P2RY2P2RY4NT5E
SCHEMBL29558990 0.83 P2RY6 (0.61) P2RY6P2RY2P2RY4NT5E
SCHEMBL29593256 0.83 P2RY6 (0.64) P2RY6P2RY2P2RY4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119320757-A Modified glycosyltransferase and application thereof in improving heparin synthesis stability and catalysis efficiency 南京师范大学 2025-01-17 — — CN disclosed
CN-113980926-B Magnetic nanoparticle-glycosyltransferase-amorphous metal organic framework composite catalytic material and preparation method and application thereof 南京师范大学 2024-03-26 — — CN disclosed
CN-114426958-B Glycosyltransferase-bimetallic organic framework composite catalytic material, preparation method thereof and application thereof in disaccharide and polysaccharide synthesis 南京师范大学 2024-03-26 — — CN disclosed
CN-116814719-A Method for preparing glycosaminoglycans of different molecular weights 南京师范大学 2023-09-29 — — CN disclosed
CN-114426958-A Glycosyltransferase-bimetal organic framework composite catalytic material, preparation method thereof and application thereof in synthesis of disaccharide and polysaccharide 南京师范大学 2022-05-03 — — CN disclosed
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