SCHEMBL25723762

SCHEMBL25723762

Nc1nc2c(ncn2[C@@H]2O[C@@H]3C(O[PH](=O)Oc4ccccc4)[C@]3(CF)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 3/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.45
▸ GSK3A P49840 2/20 0.43
▸ RPS6KA3 P51812 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ HPGD P15428 1/20 0.42
▸ NT5E P21589 1/20 0.42
▸ PNP P00491 2/20 0.42
▸ STING1 Q86WV6 2/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ TGM2 P21980 1/20 0.40

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
SCHEMBL25720918 0.83 SLC29A1 (0.36) HINT1NT5E
SCHEMBL19049941 0.81 HINT1 (0.50) HINT1TAAR1GSK3ARPS6KA3MAPK14
SCHEMBL25713349 0.77 HINT1 (0.54) HINT1TAAR1GSK3ARPS6KA3MAPK14
SCHEMBL22236660 0.77 HINT1 (0.46) HINT1TAAR1GSK3ARPS6KA3MAPK14
SCHEMBL25724873 0.76 TAAR1 (0.45) HINT1TAAR1GSK3ARPS6KA3MAPK14
SCHEMBL20059120 0.76 HPGD (0.44) HINT1TAAR1GSK3ARPS6KA3MAPK14
SCHEMBL25715184 0.74 SLC29A1 (0.34) HINT1NT5E
SCHEMBL23348945 0.73 HINT1 (0.48) HINT1TAAR1GSK3ARPS6KA3MAPK14
SCHEMBL20059085 0.73 HINT1 (0.48) HINT1TAAR1GSK3ARPS6KA3MAPK14
SCHEMBL17378466 0.72 HINT1 (0.45) HINT1TAAR1GSK3ARPS6KA3MAPK14

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
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 — — EP disclosed
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