SCHEMBL28443133

SCHEMBL28443133

COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.76
TGM2 P21980 1/20 0.70
HINT1 P49773 3/20 0.68
IMPDH2 P12268 5/20 0.67
IMPDH1 P20839 1/20 0.67
FUT5 Q11128 1/20 0.65
KRAS P01116 6/20 0.64
TAS1R3 Q7RTX0 1/20 0.62
TAS1R1 Q7RTX1 1/20 0.62
GSK3A P49840 2/20 0.61
RPS6KA3 P51812 2/20 0.61
MAPK14 Q16539 2/20 0.61

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
SCHEMBL21184238 0.95 NT5E (0.71) NT5ETGM2HINT1IMPDH2IMPDH1
SCHEMBL22001502 0.93 NT5E (0.69) NT5ETGM2HINT1IMPDH2IMPDH1
SCHEMBL15747222 0.92 NT5E (0.71) NT5ETGM2HINT1IMPDH2IMPDH1
SCHEMBL20850061 0.92 NT5E (0.71) NT5ETGM2HINT1IMPDH2IMPDH1
SCHEMBL28165608 0.92 NT5E (0.71) NT5ETGM2HINT1IMPDH2IMPDH1
SCHEMBL18648315 0.92 NT5E (0.71) NT5ETGM2HINT1IMPDH2IMPDH1
SCHEMBL21184294 0.92 NT5E (0.65) NT5ETGM2HINT1IMPDH2IMPDH1
SCHEMBL29160869 0.92 NT5E (0.77) NT5ETGM2HINT1IMPDH2IMPDH1
SCHEMBL18258303 0.92 NT5E (0.77) NT5ETGM2HINT1IMPDH2IMPDH1
SCHEMBL14659957 0.92 NT5E (0.77) NT5ETGM2HINT1IMPDH2IMPDH1

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
CN-111511922-A Vectors for production of AAV particles 牛津遗传学有限公司 2020-08-07 CN disclosed