SCHEMBL21099800

SCHEMBL21099800

C[C@]1(O)C[C@](C#N)(n2ccc(N)nc2=O)O[C@@H]1CO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.36
LMNA P02545 3/20 0.36
CACNA1F O60840 2/20 0.36
ALB P02768 2/20 0.36
MAPT P10636 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36
PDE4D Q08499 1/20 0.36
SLC29A1 Q99808 1/20 0.36
THRB P10828 1/20 0.35
MTOR P42345 1/20 0.35
MDM2 Q00987 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
FGFR1 P11362 1/20 0.33
SLC22A6 Q4U2R8 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
SCHEMBL21099961 0.78 SLC28A1 (0.33) SLC29A1
SCHEMBL21099941 0.78 PDE3A (0.34) PDE3ALMNACACNA1FALBMAPT
SCHEMBL21100416 0.77 PDE3A (0.45) PDE3ALMNACACNA1FALBMAPT
SCHEMBL13454615 0.73 PDE3A (0.43) PDE3ALMNACACNA1FALBMAPT
SCHEMBL18740733 0.73 PDE3A (0.40) PDE3ALMNACACNA1FALBMAPT
SCHEMBL21099910 0.73 PDE3A (0.42) PDE3ALMNACACNA1FALBMAPT
SCHEMBL27194237 0.72 PDE3A (0.38) PDE3ALMNACACNA1FALBMAPT
SCHEMBL27966726 0.71 PDE3A (0.38) PDE3ALMNACACNA1FALBMAPT
SCHEMBL13470533 0.71 PDE3A (0.31) PDE3ALMNACACNA1FALBMAPT
SCHEMBL30867000 0.71 PDE3A (0.39) 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
EP-2697241-B1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-06-12 EP disclosed