SCHEMBL9295418

SCHEMBL9295418

NCC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 7/20 0.75
GSK3A P49840 2/20 0.71
RPS6KA3 P51812 2/20 0.71
MAPK14 Q16539 2/20 0.71
PNP P00491 1/20 0.68
NT5E P21589 1/20 0.67
KRAS P01116 7/20 0.65
TGM2 P21980 1/20 0.62
IMPDH2 P12268 1/20 0.57

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
SCHEMBL9295421 1.00 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL2994004 0.90 HINT1 (0.72) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL6065959 0.90 HINT1 (0.77) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL217117 0.89 HINT1 (0.80) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL5358571 0.88 HINT1 (0.70) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL1611244 0.88 HINT1 (0.77) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL439016 0.87 HINT1 (0.78) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL3970953 0.87 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL3514472 0.87 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL17355882 0.87 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565646-A4 1994-08-03 EP disclosed
EP-0565646-A1 NUCLEOSIDES AND OLIGONUCLEOSIDES WITH A PHOSPHATE-FREE INTERNUCLEOSIDE BACKBONE AND PROCESS FOR PREPARING THE SAME BAYLOR COLLEGE OF MEDICINE (US) 1993-10-20 EP disclosed
US-5175266-A Oxidizing hydroxymethyl function of azidodeoxynucleosides to acid in presence of ruthenium tetroxide TRIPLEX PHARMACEUTICAL CORPORATION (US) 1992-12-29 US disclosed
WO-1992018518-A1 NUCLEOSIDES AND OLIGONUCLEOSIDES WITH A PHOSPHATE-FREE INTERNUCLEOSIDE BACKBONE AND PROCESS FOR PREPARING THE SAME BAYLOR COLLEGE OF MEDICINE (US) 1992-10-29 WO disclosed