SCHEMBL1904550

SCHEMBL1904550

Nc1nc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 10/20 0.76
▸ HINT1 P49773 4/20 0.67
▸ GSK3A P49840 2/20 0.64
▸ RPS6KA3 P51812 2/20 0.64
▸ MAPK14 Q16539 2/20 0.64
▸ NT5E P21589 1/20 0.63
▸ PNP P00491 1/20 0.59
▸ TGM2 P21980 1/20 0.59
▸ ADORA1 P30542 1/20 0.58

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
SCHEMBL10904155 1.00 TYMP (0.76) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL6420722 0.94 TYMP (0.79) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL34234 0.91 TYMP (0.64) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL34927 0.91 TYMP (0.64) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL8613274 0.89 TYMP (0.65) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL17440173 0.88 HINT1 (0.68) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL15798399 0.88 HINT1 (0.68) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL5960204 0.87 TYMP (0.69) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL16702978 0.86 TYMP (0.68) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL1738400 0.86 TYMP (0.68) TYMPHINT1GSK3ARPS6KA3MAPK14

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-20110124715-A1 Antiviral Oligonucleotides Having a Conserved G4 Core Sequence HANECAK RONNIE C 2011-05-26 — — US disclosed
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