SCHEMBL4590964

SCHEMBL4590964

Nc1nc(=O)n(C2CSCO2)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALB P02768 3/20 0.46
DNMT1 P26358 8/20 0.38
CACNA1F O60840 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNA1S Q13698 2/20 0.37
CACNA1C Q13936 2/20 0.37
PDE3A Q14432 2/20 0.37
DNMT3B Q9UBC3 3/20 0.36
POLG P54098 1/20 0.35
FPR2 P25090 2/20 0.33
ADRB1 P08588 1/20 0.32

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
SCHEMBL6130892 0.80 ALB (0.57) ALBCACNA1FLMNAMAPTCACNA1D
SCHEMBL540862 0.80 ALB (0.57) ALBCACNA1FLMNAMAPTCACNA1D
SCHEMBL231959 0.72 DNMT1 (0.64) DNMT1LMNAPDE3ADNMT3BFPR2
SCHEMBL21277431 0.72 ALB (0.41) ALBDNMT1CACNA1FLMNAMAPT
SCHEMBL25837386 0.72 DNMT1 (0.64) DNMT1LMNAPDE3ADNMT3BFPR2
SCHEMBL231960 0.72 DNMT1 (0.64) DNMT1LMNAPDE3ADNMT3BFPR2
SCHEMBL21277401 0.72 ALB (0.41) ALBDNMT1CACNA1FLMNAMAPT
SCHEMBL22299584 0.72 DNMT1 (0.64) DNMT1LMNAPDE3ADNMT3BFPR2
SCHEMBL21277396 0.72 ALB (0.41) ALBDNMT1CACNA1FLMNAMAPT
SCHEMBL21277416 0.72 ALB (0.41) ALBDNMT1CACNA1FLMNAMAPT

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-1878720-A1 Process for preparing chiral bicycloprolinates as intermediates for the preparation of peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-01-16 EP disclosed