SCHEMBL2913176

SCHEMBL2913176

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2c(=O)cc[nH]c2=O)cc1-c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CRBN Q96SW2 1/20 0.34
MET P08581 1/20 0.33
PELI1 Q96FA3 2/20 0.32
FYN P06241 1/20 0.31
PDGFRB P09619 1/20 0.30
PTK2 Q05397 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 0.89 CYP3A4 (0.47) CYP3A4CRBNMET
SCHEMBL2913825 0.86 CYP3A4 (0.47) CYP3A4CRBNMETFYNPTK2
SCHEMBL2913615 0.85 CYP3A4 (0.46) CYP3A4CRBNFYN
SCHEMBL2912679 0.85 CYP3A4 (0.46) CYP3A4CRBNMETPELI1PDGFRB
SCHEMBL2913786 0.83 CYP3A4 (0.47) CYP3A4CRBN
SCHEMBL2915016 0.83 CYP3A4 (0.47) CYP3A4CRBN
SCHEMBL2915424 0.83 CYP3A4 (0.49) CYP3A4CRBN
SCHEMBL1530830 0.83 CRBN (0.52) CYP3A4CRBNMETPELI1PTK2
SCHEMBL1530829 0.83 CRBN (0.52) CYP3A4CRBNMETPELI1PTK2
SCHEMBL2915237 0.83 CRBN (0.49) CRBNMETFYNPDGFRBPTK2

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-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed