SCHEMBL8450059

SCHEMBL8450059

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

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 7/20 0.73
GSK3A P49840 2/20 0.67
RPS6KA3 P51812 2/20 0.67
MAPK14 Q16539 2/20 0.67
PNP P00491 1/20 0.64
NT5E P21589 1/20 0.63
TGM2 P21980 1/20 0.59
KRAS P01116 6/20 0.57
FUT5 Q11128 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55

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
SCHEMBL4733243 0.93 HINT1 (0.76) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL1611244 0.92 HINT1 (0.77) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL217117 0.88 HINT1 (0.80) HINT1GSK3ARPS6KA3MAPK14PNP
E626 SCHEMBL4801526 0.87 NT5E (0.72) HINT1NT5ETGM2KRASFUT5
SCHEMBL1138806 0.86 HINT1 (0.71) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL10681529 0.86 HINT1 (0.69) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL6899834 0.85 HINT1 (0.68) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL8445552 0.85 HINT1 (0.58) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL9295418 0.85 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL9295421 0.85 HINT1 (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942916-A2 NUCLEOSIDES Medivir Aktiebolag (SE) 1999-09-22 EP disclosed
WO-1998021223-A1 NUCLEOSIDES MEDIVIR AB (SE) 1998-05-22 WO disclosed