SCHEMBL7530967

SCHEMBL7530967

Nc1[nH]c2cccc([N+](=O)[O-])c2c1CCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.53
GPR17 Q13304 3/20 0.45
SERPINE1 P05121 1/20 0.41

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
SCHEMBL9191778 0.85 FBP1 (0.66) FBP1GPR17
SCHEMBL7383934 0.80 FBP1 (0.73) FBP1
SCHEMBL29062863 0.79 GPR17 (0.71) FBP1GPR17
SCHEMBL7452457 0.79 GPR17 (0.49) FBP1GPR17
SCHEMBL7382647 0.79 GPR17 (0.52) FBP1GPR17
SCHEMBL25288592 0.79 GPR17 (0.49) GPR17
SCHEMBL2884256 0.76 APEX1 (0.43) FBP1GPR17SERPINE1
SCHEMBL4051970 0.74 FBP1 (0.54) FBP1
SCHEMBL2232715 0.72 KDM4E (0.68) GPR17
SCHEMBL28713546 0.72 KDM4E (0.68) GPR17

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-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed