SCHEMBL4083981

SCHEMBL4083981

CN1CC2(C(O[SiH2]C(C)(C)C)(c3ccccc3)c3ccccc3)OC(n3ccc(=O)[nH]c3=O)C(O1)C2O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.38
DUT P33316 10/20 0.37
P2RY2 P41231 2/20 0.33
P2RY4 P51582 1/20 0.33
SLC28A1 O00337 1/20 0.33
SLC28A2 O43868 1/20 0.33
SLC29A1 Q99808 1/20 0.33
SLC28A3 Q9HAS3 1/20 0.33
P2RY6 Q15077 1/20 0.33
P2RY12 Q9H244 1/20 0.32
P2RY14 Q15391 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
SCHEMBL4078237 0.83 B4GALT1 (0.33) NT5EDUT
SCHEMBL4075042 0.80 NT5E (0.40) NT5EDUTP2RY2P2RY4P2RY6
SCHEMBL4075038 0.79 NT5E (0.42) NT5EDUTP2RY2P2RY4P2RY6
SCHEMBL711089 0.73 DUT (0.30) DUT
SCHEMBL4087682 0.73 B4GALT1 (0.33) NT5E
SCHEMBL4083979 0.72 NT5E (0.41) NT5EDUTP2RY2P2RY4SLC28A1
SCHEMBL4075035 0.72 NT5E (0.40) NT5EDUTP2RY2P2RY4P2RY6
SCHEMBL13722319 0.71 SLC28A1 (0.44) NT5EP2RY2P2RY4SLC28A1SLC28A2
SCHEMBL4076341 0.71 SLC28A1 (0.46) NT5EP2RY2P2RY4SLC28A1SLC28A2
SCHEMBL13721976 0.71 SLC28A1 (0.46) NT5EP2RY2P2RY4SLC28A1SLC28A2

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