SCHEMBL5501200

SCHEMBL5501200

CN(C)OCCOC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 6/20 0.69
NT5E P21589 1/20 0.64
GSK3A P49840 2/20 0.61
RPS6KA3 P51812 2/20 0.61
MAPK14 Q16539 2/20 0.61
TGM2 P21980 1/20 0.60
PNP P00491 1/20 0.58
FUT5 Q11128 1/20 0.58
KRAS P01116 8/20 0.56

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
SCHEMBL5964928 0.92 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL2533738 0.91 HINT1 (0.69) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6239924 0.90 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL7098413 0.90 HINT1 (0.67) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6826563 0.89 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6889003 0.88 HINT1 (0.70) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL1138984 0.88 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL4622302 0.88 HINT1 (0.65) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6245258 0.87 HINT1 (0.69) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL7196149 0.87 HINT1 (0.69) HINT1NT5EGSK3ARPS6KA3MAPK14

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-0977767-B1 AMINOOXY-MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2007-09-19 EP disclosed