SCHEMBL28018002

SCHEMBL28018002

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

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.72
TGM2 P21980 1/20 0.67
KRAS P01116 5/20 0.63
HINT1 P49773 4/20 0.62
PNP P00491 1/20 0.61
FUT5 Q11128 1/20 0.60
IMPDH2 P12268 4/20 0.59
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
IMPDH1 P20839 1/20 0.59
GSK3A P49840 2/20 0.59
RPS6KA3 P51812 2/20 0.59
MAPK14 Q16539 2/20 0.59

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
SCHEMBL28443133 0.88 NT5E (0.76) NT5ETGM2KRASHINT1FUT5
SCHEMBL27315610 0.88 NT5E (0.76) NT5ETGM2KRASHINT1FUT5
SCHEMBL27688115 0.88 NT5E (0.77) NT5ETGM2KRASHINT1FUT5
SCHEMBL2674769 0.87 HINT1 (0.72) NT5ETGM2KRASHINT1PNP
E626 SCHEMBL20677331 0.87 NT5E (0.83) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL13497991 0.87 NT5E (0.83) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL21803790 0.87 NT5E (0.83) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL21163348 0.87 NT5E (0.83) NT5ETGM2KRASHINT1FUT5
E626 SCHEMBL18759049 0.87 NT5E (0.83) NT5ETGM2KRASHINT1FUT5
SCHEMBL8202050 0.87 NT5E (0.83) NT5ETGM2KRASHINT1FUT5

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-105164179-A Epoxy resin composition, cured product, heat dissipating material, and electronic component DAINIPPON INK & CHEMICALS 2015-12-16 CN disclosed
CN-104704021-A Epoxy resin, curable resin composition, cured product thereof, and printed wiring board DAINIPPON INK & CHEMICALS 2015-06-10 CN disclosed