SCHEMBL4079078

SCHEMBL4079078

O=c1ccn([C@@H]2O[C@H]3CO[C@H]2[C@@H]3OCc2ccc3cccc(CO)c3c2)c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
B4GALT1 P15291 4/20 0.36
SLC28A1 O00337 1/20 0.35
SLC28A2 O43868 1/20 0.35
SLC29A1 Q99808 1/20 0.35
SLC28A3 Q9HAS3 1/20 0.35
P2RY2 P41231 5/20 0.33
P2RY12 Q9H244 4/20 0.33
P2RY6 Q15077 4/20 0.33
STING1 Q86WV6 1/20 0.32

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
SCHEMBL4084059 0.90 B4GALT1 (0.35) B4GALT1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL4078642 0.89 B4GALT1 (0.34) B4GALT1P2RY2P2RY12P2RY6STING1
SCHEMBL4074795 0.84 MEN1 (0.33) B4GALT1P2RY2P2RY12
SCHEMBL7707747 0.70 TDP1 (0.40) P2RY2P2RY12P2RY6
SCHEMBL15678124 0.65 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2
SCHEMBL3492254 0.63 SLC28A1 (0.54) B4GALT1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL3492251 0.63 SLC28A1 (0.54) B4GALT1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL19841245 0.63 SLC28A1 (0.54) B4GALT1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL14654385 0.63 SLC28A1 (0.54) B4GALT1SLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL7624341 0.63 SLC28A1 (0.57) SLC28A1SLC28A2SLC29A1SLC28A3P2RY2

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-7569686-B1 Compounds and methods for synthesis of bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed