SCHEMBL25718276

SCHEMBL25718276

CC(=O)OC1[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](OC(C)=O)[C@@]12CN=[N+]=[N-]

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 11/20 0.39
▸ P2RY4 P51582 5/20 0.39
▸ SLC28A1 O00337 1/20 0.38
▸ SLC28A2 O43868 1/20 0.38
▸ SLC29A1 Q99808 1/20 0.38
▸ SLC28A3 Q9HAS3 1/20 0.38
▸ P2RY6 Q15077 8/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ P2RY14 Q15391 3/20 0.36

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
SCHEMBL18671502 0.79 SLC28A1 (0.37) P2RY2P2RY4SLC28A1SLC28A2SLC29A1
SCHEMBL25717866 0.78 SLC28A1 (0.43) P2RY2P2RY4SLC28A1SLC28A2SLC29A1
SCHEMBL18512756 0.77 POLB (0.41) P2RY2SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL25718210 0.76 — —
SCHEMBL17357612 0.76 P2RY6 (0.39) P2RY2P2RY4SLC28A1SLC28A2SLC29A1
SCHEMBL26471944 0.76 P2RY6 (0.39) P2RY2P2RY4SLC28A1SLC28A2SLC29A1
SCHEMBL26012227 0.76 P2RY6 (0.39) P2RY2P2RY4SLC28A1SLC28A2SLC29A1
SCHEMBL16640099 0.76 P2RY6 (0.39) P2RY2P2RY4SLC28A1SLC28A2SLC29A1
SCHEMBL20725042 0.75 P2RY2 (0.46) P2RY2P2RY4P2RY6P2RY14
SCHEMBL18512852 0.75 P2RY2 (0.46) P2RY2P2RY4P2RY6P2RY14

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
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 — — EP disclosed
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