SCHEMBL22001331

SCHEMBL22001331

CNCCn1cc(CCP(=O)(OC)OP(=O)(OC)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)nn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.54
FUT6 P51993 4/20 0.54
NT5E P21589 1/20 0.54
KRAS P01116 10/20 0.52
FUT5 Q11128 1/20 0.50
HINT1 P49773 1/20 0.49
IMPDH2 P12268 1/20 0.48
IMPDH1 P20839 1/20 0.48

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
SCHEMBL22001849 0.85 KRAS (0.45) TGM2FUT6NT5EKRASFUT5
SCHEMBL22001334 0.82 NT5E (0.62) TGM2NT5EKRASFUT5HINT1
SCHEMBL21184238 0.81 NT5E (0.71) TGM2NT5EKRASFUT5HINT1
SCHEMBL28443133 0.81 NT5E (0.76) TGM2NT5EKRASFUT5HINT1
SCHEMBL22001583 0.81 NT5E (0.64) TGM2NT5EKRASFUT5HINT1
SCHEMBL22001580 0.80 NT5E (0.63) TGM2NT5EKRASFUT5HINT1
SCHEMBL21184239 0.79 NT5E (0.66) TGM2NT5EKRASFUT5HINT1
SCHEMBL20850061 0.79 NT5E (0.71) TGM2NT5EKRASFUT5HINT1
SCHEMBL18648315 0.79 NT5E (0.71) TGM2NT5EKRASFUT5HINT1
SCHEMBL15747222 0.79 NT5E (0.71) TGM2NT5EKRASFUT5HINT1

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-3484907-B1 NOVEL PHOSPHOTRIAZOLE MRNA 5'-END CAP ANALOGS, COMPOSITION COMPRISING THE SAME, RNA MOLECULE INCORPORATING THE SAME, USES THEREOF AND METHOD OF SYNTHESIZING RNA MOLECULE, PROTEIN OR PEPTIDE UNIV WARSZAWSKI (PL) 2020-05-13 EP disclosed