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SCHEMBL4079323

SCHEMBL4079323

CC(=O)O[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@@](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(COS(C)(=O)=O)[C@H]1OCc1cccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.33
▸ NT5E P21589 1/20 0.31

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
SCHEMBL4082343 0.92 TDP1 (0.36) TDP1NT5E
SCHEMBL4082341 0.92 TDP1 (0.36) TDP1NT5E
SCHEMBL4078216 0.84 — —
SCHEMBL20394004 0.83 TDP1 (0.40) TDP1NT5E
SCHEMBL20394005 0.83 TDP1 (0.40) TDP1NT5E
SCHEMBL4084061 0.82 — —
SCHEMBL4078222 0.82 P2RY6 (0.34) NT5E
SCHEMBL4078224 0.82 P2RY6 (0.34) NT5E
SCHEMBL13834462 0.82 TDP1 (0.39) TDP1NT5E
SCHEMBL13722085 0.79 TDP1 (0.38) TDP1NT5E

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