SCHEMBL9625967

SCHEMBL9625967

Nc1ccn([C@]2(C(=O)c3cccnc3)O[C@H](CO)[C@@H](O)[C@]2(O)C(=O)c2cccnc2)c(=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.42
PDE3A Q14432 3/20 0.38
PDE4D Q08499 1/20 0.38
SLC29A1 Q99808 1/20 0.38
LMNA P02545 4/20 0.38
THRB P10828 2/20 0.38
MTOR P42345 1/20 0.38
MDM2 Q00987 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
ST6GAL1 P15907 1/20 0.32
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
F2 P00734 2/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CACNA1F O60840 2/20 0.31
ALB P02768 2/20 0.31
CACNA1D Q01668 2/20 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
SCHEMBL9868819 0.81 POLA1 (0.44) POLA1PDE3APDE4DSLC29A1LMNA
SCHEMBL22363161 0.80 POLA1 (0.42) POLA1PDE3APDE4DSLC29A1LMNA
SCHEMBL16372103 0.78 PDE3A (0.46) POLA1PDE3APDE4DSLC29A1LMNA
SCHEMBL10615248 0.77 PDE3A (0.44) POLA1PDE3APDE4DSLC29A1LMNA
SCHEMBL6368042 0.76 PDE3A (0.38) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL31189348 0.74 PDE3A (0.48) POLA1PDE3APDE4DSLC29A1LMNA
SCHEMBL2512325 0.74 PDE3A (0.40) POLA1PDE3APDE4DSLC29A1LMNA
SCHEMBL16703971 0.73 POLA1 (0.38) POLA1PDE3APDE4DSLC29A1LMNA
SCHEMBL12503913 0.73 PDE3A (0.34) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL6534202 0.72 PDE3A (0.45) POLA1PDE3APDE4DSLC29A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366171-B1 NUCLEOSIDE DERIVATIVES NYCOMED AS (NO) 1992-05-06 EP disclosed
EP-0366171-A1 Nucleoside derivatives NYCOMED AS (NO) 1990-05-02 EP disclosed