SCHEMBL2912679

SCHEMBL2912679

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2c(=O)cc[nH]c2=O)cc1-c1ccoc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CRBN Q96SW2 1/20 0.34
MET P08581 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
PELI1 Q96FA3 2/20 0.32
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
PDGFRB P09619 1/20 0.30

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
SCHEMBL2914308 0.87 CYP3A4 (0.47) CYP3A4CRBNMETIKBKBCHUK
SCHEMBL2913176 0.85 CYP3A4 (0.46) CYP3A4CRBNMETPELI1PDGFRB
SCHEMBL2910162 0.85 CYP3A4 (0.46) CYP3A4CRBN
SCHEMBL2913825 0.84 CYP3A4 (0.47) CYP3A4CRBNMETIKBKBCHUK
SCHEMBL2915424 0.83 CYP3A4 (0.49) CYP3A4CRBN
SCHEMBL2915016 0.83 CYP3A4 (0.47) CYP3A4CRBNIKBKBCHUK
SCHEMBL2913786 0.83 CYP3A4 (0.47) CYP3A4CRBN
SCHEMBL1530346 0.83 CRBN (0.52) CYP3A4CRBNMETFABP4FABP5
SCHEMBL1530342 0.83 CRBN (0.52) CYP3A4CRBNMETFABP4FABP5
SCHEMBL2910644 0.83 CRBN (0.49) CRBNMETFABP4FABP5IKBKB

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-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
EP-2203430-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS Abbott Laboratories (US) 2010-07-07 EP disclosed
WO-2009039135-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed