SCHEMBL22498538

SCHEMBL22498538

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.62
TGM2 P21980 1/20 0.56
HINT1 P49773 1/20 0.53
KRAS P01116 9/20 0.53
STING1 Q86WV6 2/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
IMPDH2 P12268 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
GSK3A P49840 2/20 0.50
RPS6KA3 P51812 2/20 0.50
MAPK14 Q16539 2/20 0.50
FUT5 Q11128 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
SCHEMBL22636005 1.00 NT5E (0.62) NT5ETGM2HINT1KRASSTING1
SCHEMBL7535718 0.89 HINT1 (0.58) NT5ETGM2HINT1KRASSTING1
SCHEMBL4081026 0.87 NT5E (0.60) NT5ETGM2HINT1KRASSTING1
SCHEMBL5861503 0.87 NT5E (0.60) NT5ETGM2HINT1KRASSTING1
SCHEMBL23710670 0.86 TAAR1 (0.58) NT5ETGM2HINT1STING1PDE3B
SCHEMBL23200376 0.86 TAAR1 (0.58) NT5ETGM2HINT1STING1PDE3B
SCHEMBL7541561 0.86 TAAR1 (0.56) NT5ETGM2HINT1STING1PDE3B
SCHEMBL23710671 0.86 TAAR1 (0.58) NT5ETGM2HINT1STING1PDE3B
SCHEMBL800400 0.86 TAAR1 (0.58) NT5ETGM2HINT1STING1PDE3B
SCHEMBL23200375 0.86 TAAR1 (0.58) NT5ETGM2HINT1STING1PDE3B

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
EP-3784792-A1 ENZYMATIC METHOD FOR PREPARATION OF GDP-FUCOSE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-03-03 EP disclosed
WO-2020201315-A1 ENZYMATIC METHOD FOR PREPARATION OF GDP-FUCOSE MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-10-08 WO disclosed