SCHEMBL7571229

SCHEMBL7571229

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.60
TGM2 P21980 1/20 0.58
IMPDH2 P12268 6/20 0.56
KRAS P01116 8/20 0.54
FUT5 Q11128 1/20 0.53
P2RY2 P41231 1/20 0.53
P2RY4 P51582 1/20 0.53
P2RY6 Q15077 1/20 0.53
IMPDH1 P20839 2/20 0.52
HINT1 P49773 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50

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
SCHEMBL5061620 1.00 NT5E (0.60) NT5ETGM2IMPDH2KRASFUT5
SCHEMBL1697432 0.92 NT5E (0.61) NT5ETGM2IMPDH2KRASFUT5
SCHEMBL6027526 0.92 NT5E (0.61) NT5ETGM2IMPDH2KRASFUT5
Guanosine SCHEMBL8429254 0.90 TGM2 (0.55) NT5ETGM2IMPDH2KRASFUT5
Guanosine SCHEMBL3264840 0.90 TGM2 (0.55) NT5ETGM2IMPDH2KRASFUT5
Guanosine SCHEMBL4816737 0.90 TGM2 (0.55) NT5ETGM2IMPDH2KRASFUT5
SCHEMBL1269745 0.88 NT5E (0.61) NT5ETGM2IMPDH2KRASFUT5
Demannose SCHEMBL20746287 0.88 TGM2 (0.66) NT5ETGM2IMPDH2KRASFUT5
Demannose SCHEMBL2182862 0.88 TGM2 (0.66) NT5ETGM2IMPDH2KRASFUT5
Demannose SCHEMBL4290630 0.88 TGM2 (0.66) NT5ETGM2IMPDH2KRASFUT5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020068331-A1 Production of fucosylated carbohydrates by enzymatic fucosylation synthesis of sugar nucleotides; and in situ regeneration of GDP-fucose WONG CHI-HUEY (US) 2002-06-06 US claimed
EP-0642526-B1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE SCRIPPS RESEARCH INST (US) 1998-12-23 EP claimed
EP-0642526-A4 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE. SCRIPPS RESEARCH INST (US) 1996-04-10 EP claimed
EP-0642526-A1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE THE SCRIPPS RESEARCH INSTITUTE (US) 1995-03-15 EP claimed
WO-1993008205-A1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE THE SCRIPPS RESEARCH INSTITUTE (US) 1993-04-29 WO claimed
EP-0958352-A1 METHOD FOR THE PRODUCTION OF NDP-SUGAR FORSCHUNGSZENTRUM JÜLICH GMBH (DE) 1999-11-24 EP disclosed
WO-1998033894-A1 METHOD FOR THE PRODUCTION OF NDP-SUGAR Forschungszentrum Jülich GmbH (DE) 1998-08-06 WO disclosed