SCHEMBL9066867

SCHEMBL9066867

Nc1nc(=O)n([C@@H]2CO[C@@H](CO)S2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.61
POLG P54098 1/20 0.42
DCK P27707 15/20 0.38
CACNA1F O60840 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
PDE3A Q14432 2/20 0.38

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
SCHEMBL20734859 1.00 ALB (0.61) ALBPOLGDCKCACNA1FLMNA
SCHEMBL7119054 1.00 ALB (0.61) ALBPOLGDCKCACNA1FLMNA
SCHEMBL5608119 1.00 ALB (0.61) ALBPOLGDCKCACNA1FLMNA
SCHEMBL9066905 1.00 ALB (0.61) ALBPOLGDCKCACNA1FLMNA
SCHEMBL5607740 1.00 ALB (0.61) ALBPOLGDCKCACNA1FLMNA
SCHEMBL12150303 0.85 ALB (0.44) ALBPOLGCACNA1FLMNAMAPT
SCHEMBL14032177 0.85 ALB (0.44) ALBPOLGCACNA1FLMNAMAPT
SCHEMBL27527424 0.82 ALB (0.69) ALBPOLGDCKCACNA1FLMNA
SCHEMBL20735176 0.82 ALB (0.54) ALBPOLGDCKCACNA1FLMNA
SCHEMBL10015802 0.81 ALB (0.46) ALBPOLGDCK

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
US-5587480-A TREATING HIV AND HEPATITIS VIRUS INFECTIONS BIOCHEM PHARMA, INC. (CA) 1996-12-24 US claimed
US-5587480-A TREATING HIV AND HEPATITIS VIRUS INFECTIONS BIOCHEM PHARMA, INC. (CA) 1996-12-24 US disclosed