SCHEMBL9548726

SCHEMBL9548726

CC(=O)OC[C@@]1(C#N)O[C@@H](n2ccc(N)nc2=O)CC1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.37
LMNA P02545 3/20 0.37
CACNA1F O60840 2/20 0.37
ALB P02768 2/20 0.37
MAPT P10636 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNA1S Q13698 2/20 0.37
CACNA1C Q13936 2/20 0.37
POLB P06746 1/20 0.34
POLA1 P09884 1/20 0.33
POLG P54098 2/20 0.33
PDE4D Q08499 1/20 0.32
SLC29A1 Q99808 1/20 0.32
THRB P10828 1/20 0.32
MTOR P42345 1/20 0.32
MDM2 Q00987 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
ST6GAL1 P15907 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
SCHEMBL9548721 1.00 PDE3A (0.37) PDE3ALMNACACNA1FALBMAPT
SCHEMBL9548579 0.85 PDE3A (0.41) PDE3ALMNACACNA1FALBMAPT
SCHEMBL9548581 0.85 PDE3A (0.41) PDE3ALMNACACNA1FALBMAPT
SCHEMBL9548669 0.84 DUT (0.38)
SCHEMBL9548678 0.84 DUT (0.38)
SCHEMBL9548704 0.79 HINT1 (0.37) PDE3ALMNAPDE4D
SCHEMBL9548591 0.79 PDE3A (0.44) PDE3ALMNACACNA1FALBMAPT
SCHEMBL9548588 0.79 PDE3A (0.44) PDE3ALMNACACNA1FALBMAPT
SCHEMBL9548822 0.79 PDE3A (0.44) PDE3ALMNACACNA1FALBMAPT
SCHEMBL9548833 0.79 PDE3A (0.44) PDE3ALMNACACNA1FALBMAPT

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