SCHEMBL13721990

SCHEMBL13721990

CO[C@H]1[C@H]2ON(C(=O)COc3ccccc3)C[C@]1(C[Si](C)(C)C(C)(C)C)O[C@H]2n1ccc(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.35
P2RY6 Q15077 3/20 0.33
P2RY2 P41231 3/20 0.32
P2RY14 Q15391 1/20 0.32
DUT P33316 5/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
P2RY12 Q9H244 3/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL13722113 0.93 NT5E (0.34) NT5EP2RY6P2RY2P2RY14DUT
SCHEMBL13721986 0.92 NT5E (0.39) NT5EP2RY6P2RY2P2RY14DUT
SCHEMBL13722156 0.81 NT5E (0.39) NT5EP2RY6P2RY2P2RY14KMT2A
SCHEMBL13722164 0.81 NT5E (0.39) NT5EP2RY6P2RY2P2RY14DUT
SCHEMBL4078631 0.77 NT5E (0.36) NT5EP2RY6P2RY14DUT
SCHEMBL13721996 0.76 ABL1 (0.41) NT5EP2RY6P2RY2P2RY14
SCHEMBL13722327 0.75 P2RY14 (0.33) NT5EP2RY6P2RY2P2RY14KMT2A
SCHEMBL13722314 0.73 P2RY6 (0.40) NT5EP2RY6P2RY2P2RY14DUT
SCHEMBL13722472 0.71 DUT (0.37) NT5EP2RY6P2RY2P2RY14DUT
SCHEMBL4078632 0.71 NT5E (0.40) NT5EP2RY6P2RY2P2RY14KMT2A

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