SCHEMBL11163136

SCHEMBL11163136

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 6/20 0.58
TAAR1 Q96RJ0 2/20 0.56
NT5E P21589 1/20 0.56
GSK3A P49840 2/20 0.55
RPS6KA3 P51812 2/20 0.55
MAPK14 Q16539 2/20 0.55
STING1 Q86WV6 2/20 0.53
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
PNP P00491 1/20 0.53
TGM2 P21980 1/20 0.52
HPGD P15428 1/20 0.51
KRAS P01116 1/20 0.49

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
SCHEMBL11163143 1.00 HINT1 (0.58) HINT1TAAR1NT5EGSK3ARPS6KA3
Phosphoric Acid SCHEMBL30082488 0.93 NT5E (0.57) HINT1TAAR1NT5EGSK3ARPS6KA3
SCHEMBL7535718 0.90 HINT1 (0.58) HINT1TAAR1NT5EGSK3ARPS6KA3
SCHEMBL7111072 0.87 HINT1 (0.55) HINT1TAAR1NT5EGSK3ARPS6KA3
SCHEMBL23200375 0.87 TAAR1 (0.58) HINT1TAAR1NT5EGSK3ARPS6KA3
SCHEMBL23710670 0.87 TAAR1 (0.58) HINT1TAAR1NT5EGSK3ARPS6KA3
SCHEMBL23200376 0.87 TAAR1 (0.58) HINT1TAAR1NT5EGSK3ARPS6KA3
SCHEMBL780400 0.87 TAAR1 (0.58) HINT1TAAR1NT5EGSK3ARPS6KA3
SCHEMBL800400 0.87 TAAR1 (0.58) HINT1TAAR1NT5EGSK3ARPS6KA3
SCHEMBL2424287 0.87 HINT1 (0.55) HINT1TAAR1NT5EGSK3ARPS6KA3

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
US-4385112-A CULTURES, PSEUDOMONAS, QUANTITATIVE NUCLEOSIDE ASSAY, MAKING NUCLEOSIDE-5-CARBOXYLIC ACIDS TOYO JOZO KABUSHIKI KAISHA (JP) 1983-05-24 US disclosed