SCHEMBL3105519

SCHEMBL3105519

COc1c(C#Cc2ccc(NS(C)(=O)=O)cc2O)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.42
CYP3A4 P08684 3/20 0.37
BRD4 O60885 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
SCHEMBL2913314 0.91 CRBN (0.42) CRBNCYP3A4BRD4
SCHEMBL2909603 0.90 CRBN (0.42) CRBNCYP3A4BRD4
SCHEMBL2910784 0.89 CRBN (0.41) CRBNCYP3A4
SCHEMBL478603 0.89 CRBN (0.42) CRBNCYP3A4BRD4
SCHEMBL2913952 0.88 CRBN (0.40) CRBNCYP3A4
SCHEMBL2907207 0.85 CRBN (0.39) CRBNCYP3A4BRD4
SCHEMBL2910591 0.83 CRBN (0.37) CRBNCYP3A4
SCHEMBL1531039 0.82 CRBN (0.63) CRBNCYP3A4BRD4
SCHEMBL2907834 0.81 CRBN (0.35) CRBNCYP3A4
SCHEMBL2907830 0.80 CRBN (0.34) 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