SCHEMBL9548767

SCHEMBL9548767

CC(=O)OC[C@@]1(C#N)O[C@H](n2ccc(-n3cncn3)nc2=O)C[C@@H]1OC(C)=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPT P10636 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
SCHEMBL9548740 0.81 MAPT (0.32) MAPT
SCHEMBL9548726 0.73 PDE3A (0.37) MAPT
SCHEMBL9548721 0.73 PDE3A (0.37) MAPT
SCHEMBL16855748 0.73 MAPT (0.30) MAPT
SCHEMBL9548581 0.72 PDE3A (0.41) MAPT
SCHEMBL9548579 0.72 PDE3A (0.41) MAPT
SCHEMBL6762630 0.72 MAPT (0.31) MAPT
SCHEMBL16855720 0.72
SCHEMBL25717548 0.71 POLB (0.33) MAPT
SCHEMBL2524224 0.70 HINT1 (0.39) MAPT

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-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed