SCHEMBL7124283

SCHEMBL7124283

Nc1nc(=O)n(C2CSC(CO)S2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.59
POLG P54098 1/20 0.42
DCK P27707 14/20 0.36
CACNA1F O60840 2/20 0.36
LMNA P02545 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
PDE3A Q14432 2/20 0.36

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
SCHEMBL9067244 1.00 ALB (0.59) ALBPOLGDCKCACNA1FLMNA
SCHEMBL9067540 1.00 ALB (0.59) ALBPOLGDCKCACNA1FLMNA
SCHEMBL9122186 0.79 ALB (0.54) ALBPOLGDCK
SCHEMBL9149293 0.78 ALB (0.53) ALBPOLGDCKLMNA
SCHEMBL2036187 0.78 ALB (0.53) ALBPOLGDCKLMNA
SCHEMBL9530859 0.77 LMNA (0.57) ALBPOLGCACNA1FLMNAMAPT
SCHEMBL6303823 0.77 ALB (0.52) ALBPOLGDCK
SCHEMBL20734859 0.77 ALB (0.61) ALBPOLGDCKCACNA1FLMNA
SCHEMBL9066905 0.77 ALB (0.61) ALBPOLGDCKCACNA1FLMNA
SCHEMBL5607740 0.77 ALB (0.61) ALBPOLGDCKCACNA1FLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361227-A2 [5-carboxamide or 5-fluoro]-[2', 3'-unsaturated or 3'-modifield]-pyrimidine nucleosides Emory University (US) 2003-11-12 EP claimed
EP-0805683-A4 5-CARBOXAMIDO OR 5-FLUORO]- 2',3'-UNSATURATED OR 3'-MODIFIED]-PYRIMIDINE NUCLEOSIDES UNIV EMORY (US) 1999-09-01 EP claimed
EP-0805683-A1 5-CARBOXAMIDO OR 5-FLUORO]- 2',3'-UNSATURATED OR 3'-MODIFIED]-PYRIMIDINE NUCLEOSIDES EMORY UNIVERSITY (US) 1997-11-12 EP claimed
WO-1996022778-A1 DERIVATIVES OF SUCCINAMIDE AND THEIR USE AS METALLOPROTEINASE INHIBITOR EMORY UNIVERSITY (US) 1996-08-01 WO claimed