SCHEMBL2913186

SCHEMBL2913186

COc1c(-c2ccc(C/C=N/NS(C)(=O)=O)cc2)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
CYP3A4 P08684 3/20 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
SCHEMBL2912422 0.91 CRBN (0.40) CRBNCYP3A4
SCHEMBL2907863 0.87 CRBN (0.42) CRBNCYP3A4
SCHEMBL2910151 0.85 CRBN (0.43) CRBNCYP3A4
SCHEMBL2916491 0.82 CRBN (0.42) CRBNCYP3A4
SCHEMBL2915298 0.82 CRBN (0.56) CRBNCYP3A4
SCHEMBL3773011 0.77 CRBN (0.42) CRBNCYP3A4
SCHEMBL2915236 0.77 CRBN (0.46) CRBNCYP3A4
Alcohol SCHEMBL2909873 0.76 CRBN (0.64) CRBNCYP3A4
SCHEMBL2913931 0.76 CRBN (0.69) CRBNCYP3A4
Water SCHEMBL2915433 0.76 CRBN (0.68) CRBNCYP3A4

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