SCHEMBL9236777

SCHEMBL9236777

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(N)c3ccccc3)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 9/20 0.67
▸ GSK3A P49840 2/20 0.64
▸ RPS6KA3 P51812 2/20 0.64
▸ MAPK14 Q16539 2/20 0.64
▸ NT5E P21589 1/20 0.63
▸ PNP P00491 1/20 0.59
▸ TGM2 P21980 1/20 0.59
▸ IMPDH2 P12268 1/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.55
▸ KRAS P01116 3/20 0.54
▸ TYMP P19971 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
SCHEMBL1034011 0.87 HINT1 (0.69) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL9231860 0.86 HINT1 (0.71) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL9231155 0.86 HINT1 (0.68) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL28398120 0.86 HINT1 (0.70) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL186043 0.85 HINT1 (0.69) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL1533274 0.85 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL10904155 0.84 TYMP (0.76) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL1904550 0.84 TYMP (0.76) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL5219707 0.84 GSK3A (0.80) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL3970953 0.84 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14NT5E

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-0653438-A2 Oligonucleotide compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-17 — — EP disclosed
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