SCHEMBL12840290

SCHEMBL12840290

O=c1[nH]c(=O)n([C@@H]2O[C@@]3(CO)CCOC2C3O)cc1I

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.48
TK1 P04183 3/20 0.46
P2RY6 Q15077 4/20 0.39
P2RY14 Q15391 3/20 0.39
TK2 O00142 2/20 0.34
BCHE P06276 1/20 0.33

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
SCHEMBL12840822 0.89 PYGM (0.50) PYGMTK1P2RY6P2RY14TK2
SCHEMBL13976530 0.89 PYGM (0.50) PYGMTK1P2RY6P2RY14TK2
SCHEMBL13978280 0.89 PYGM (0.50) PYGMTK1P2RY6P2RY14TK2
SCHEMBL13976551 0.89 PYGM (0.50) PYGMTK1P2RY6P2RY14TK2
SCHEMBL16307368 0.89 PYGM (0.50) PYGMTK1P2RY6P2RY14TK2
SCHEMBL24359129 0.89 PYGM (0.50) PYGMTK1P2RY6P2RY14TK2
SCHEMBL16307197 0.89 PYGM (0.50) PYGMTK1P2RY6P2RY14TK2
SCHEMBL26738168 0.87 TK1 (0.46) TK1
SCHEMBL5996943 0.87 TK1 (0.46) TK1
SCHEMBL26735103 0.87 TK1 (0.46) TK1

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
WO-2011032034-A2 NUCLEOBASE-FUNCTIONALIZED CONFORMATIONALLY RESTRICTED NUCLEOTIDES AND OLIGONUCLEOTIDES FOR TARGETING NUCLEIC ACIDS UNIVERSITY OF IDAHO (US) 2011-03-17 WO disclosed