SCHEMBL17845832

SCHEMBL17845832

Nc1nc2c(ncn2[C@@H]2O[C@H](COCc3ccc(-c4ccccc4)cc3)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 9/20 0.67
GSK3A P49840 2/20 0.62
RPS6KA3 P51812 2/20 0.62
MAPK14 Q16539 2/20 0.62
NT5E P21589 1/20 0.61
PNP P00491 1/20 0.57
TGM2 P21980 1/20 0.57
KRAS P01116 2/20 0.54
TYMP P19971 1/20 0.53
PDE2A O00408 1/20 0.53
IMPDH2 P12268 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53

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
SCHEMBL1533274 0.95 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL26622676 0.85 HINT1 (0.62) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL16163344 0.83 HINT1 (0.70) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL1138984 0.83 HINT1 (0.75) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL2335177 0.83 HINT1 (0.69) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL4963673 0.83 HINT1 (0.60) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL26212718 0.82 HINT1 (0.59) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL439016 0.82 HINT1 (0.78) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL6826563 0.82 HINT1 (0.68) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL5219707 0.82 GSK3A (0.80) HINT1GSK3ARPS6KA3MAPK14NT5E

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-3233880-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2017-10-25 EP disclosed
WO-2016098028-A1 END CAPPED NUCLEIC ACID MOLECULES NOVARTIS AG (CH) 2016-06-23 WO disclosed