SCHEMBL27575151

SCHEMBL27575151

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

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 8/20 0.74
NT5E P21589 1/20 0.67
PNP P00491 1/20 0.65
KRAS P01116 5/20 0.64
GSK3A P49840 2/20 0.63
RPS6KA3 P51812 2/20 0.63
MAPK14 Q16539 2/20 0.63
TGM2 P21980 1/20 0.62
FUT5 Q11128 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA9 Q16790 1/20 0.58

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
SCHEMBL2674769 0.91 HINT1 (0.72) HINT1NT5EPNPKRASGSK3A
SCHEMBL2675383 0.91 HINT1 (0.72) HINT1NT5EPNPKRASGSK3A
SCHEMBL10001265 0.91 HINT1 (0.72) HINT1NT5EPNPKRASGSK3A
SCHEMBL2675390 0.90 HINT1 (0.71) HINT1NT5EPNPKRASGSK3A
2'-Beta-Methyl-Guanosine SCHEMBL14178410 0.88 HINT1 (0.75) HINT1NT5EPNPKRASGSK3A
2'-Beta-Methyl-Guanosine SCHEMBL116165 0.88 HINT1 (0.75) HINT1NT5EPNPKRASGSK3A
2'-Beta-Methyl-Guanosine SCHEMBL15338533 0.88 HINT1 (0.75) HINT1NT5EPNPKRASGSK3A
2'-Beta-Methyl-Guanosine SCHEMBL11965261 0.88 HINT1 (0.75) HINT1NT5EPNPKRASGSK3A
2'-Beta-Methyl-Guanosine SCHEMBL383785 0.88 HINT1 (0.75) HINT1NT5EPNPKRASGSK3A
2'-Beta-Methyl-Guanosine SCHEMBL5972612 0.87 HINT1 (0.73) HINT1NT5EPNPKRASGSK3A

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
CN-100488512-C Compositions for treatment of cell proliferative disorders and its uses MARINE POLYMERS TECHNOLOGIES I (US) 2009-05-20 CN disclosed
CN-1335749-A Method and compositions for treatment of cell proliferative disorders MARINE POLYMERS TECHNOLOGIES I (US) 2002-02-13 CN disclosed