SCHEMBL2916163

SCHEMBL2916163

COc1c(C(=O)N(C)c2ccc(NS(C)(=O)=O)cc2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.38
CYP3A4 P08684 3/20 0.36
ADRB1 P08588 1/20 0.32
F10 P00742 1/20 0.31
NR3C2 P08235 1/20 0.31

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
SCHEMBL2915358 0.90 ACLY (0.32) NR3C2
SCHEMBL2915916 0.87 CRBN (0.39) CRBNCYP3A4ADRB1NR3C2
SCHEMBL2914859 0.85 CYP3A4 (0.40) CRBNCYP3A4ADRB1
SCHEMBL1530736 0.83 CRBN (0.38) CRBNCYP3A4ADRB1F10NR3C2
SCHEMBL2915057 0.82 CRBN (0.39) CRBNCYP3A4F10
SCHEMBL2907766 0.81 KMT2A (0.41) CRBNCYP3A4F10
SCHEMBL2915689 0.81 F10 (0.39) CRBNCYP3A4F10
SCHEMBL2910562 0.81 HPGD (0.41) CRBNCYP3A4ADRB1F10
SCHEMBL2915218 0.80 CYP3A4 (0.40) CRBNCYP3A4ADRB1
SCHEMBL2913875 0.80 F10 (0.37) CRBNF10

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