SCHEMBL2365610

SCHEMBL2365610

CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1C(O)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLG P54098 2/20 0.38
PDE3A Q14432 3/20 0.35
LMNA P02545 3/20 0.35
CACNA1F O60840 2/20 0.35
ALB P02768 2/20 0.35
MAPT P10636 2/20 0.35
CACNA1D Q01668 2/20 0.35
CACNA1S Q13698 2/20 0.35
CACNA1C Q13936 2/20 0.35
POLB P06746 1/20 0.34
NT5E P21589 1/20 0.33
PDE4D Q08499 1/20 0.31
SLC29A1 Q99808 1/20 0.31
THRB P10828 1/20 0.31
MTOR P42345 1/20 0.31
MDM2 Q00987 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
P2RY2 P41231 1/20 0.30
P2RY4 P51582 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
SCHEMBL8517853 0.88 LMNA (0.40) POLGPDE3ALMNACACNA1FALB
SCHEMBL2056493 0.84
SCHEMBL5488005 0.82 POLB (0.39) POLGPDE3ALMNACACNA1FALB
SCHEMBL6574062 0.80
SCHEMBL5396749 0.79 POLB (0.31) POLB
SCHEMBL5480814 0.79 POLG (0.32) POLGPDE3ALMNACACNA1FALB
SCHEMBL15301518 0.77 TYMP (0.35) POLB
SCHEMBL16131335 0.77 TYMP (0.35) POLB
SCHEMBL3292628 0.75 DNMT1 (0.50) PDE3ALMNAPOLBPDE4DMTOR
SCHEMBL9297806 0.74 LMNA (0.52) LMNATHRBMTORMDM2NCOA1

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-2365077-A1 iRNA agents targeting VEGF Alnylam Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed