SCHEMBL6899834

SCHEMBL6899834

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

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.68
▸ NT5E P21589 1/20 0.65
▸ GSK3A P49840 2/20 0.61
▸ RPS6KA3 P51812 2/20 0.61
▸ MAPK14 Q16539 2/20 0.61
▸ TGM2 P21980 1/20 0.61
▸ PNP P00491 1/20 0.59
▸ FUT5 Q11128 1/20 0.56
▸ KRAS P01116 5/20 0.55
▸ IMPDH2 P12268 2/20 0.55
▸ IMPDH1 P20839 1/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.54

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
SCHEMBL5180584 0.94 HINT1 (0.69) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL1138984 0.89 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL27876616 0.88 HINT1 (0.64) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL1138806 0.88 HINT1 (0.71) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL4733243 0.87 HINT1 (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6239924 0.87 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL2335177 0.87 HINT1 (0.69) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL11965261 0.86 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL15338533 0.86 HINT1 (0.75) HINT1NT5EGSK3ARPS6KA3MAPK14
2'-Beta-Methyl-Guanosine SCHEMBL14178410 0.86 HINT1 (0.75) 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
US-20040214198-A1 Allele-targeted RNA interference UNIVERSITY OF MASSACHUSETTS 2004-10-28 — — US disclosed
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