SCHEMBL2915746

SCHEMBL2915746

COc1c(C#Cc2ccc(NS(C)(=O)=O)cn2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.37
CYP3A4 P08684 3/20 0.33
RIPK2 O43353 2/20 0.32
ACVR1 Q04771 2/20 0.32
NOD2 Q9HC29 2/20 0.32
GAA P10253 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
MET P08581 1/20 0.30
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MTOR P42345 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
SCHEMBL2915572 0.88 CRBN (0.40) CRBNCYP3A4
SCHEMBL2915280 0.86 CRBN (0.34) CRBNCYP3A4RIPK2ACVR1NOD2
SCHEMBL2908256 0.86 CRBN (0.42) CRBNCYP3A4ACVR1NPC1
SCHEMBL2916365 0.86 CRBN (0.40) CRBNCYP3A4
SCHEMBL2913987 0.85 CRBN (0.40) CRBNCYP3A4
SCHEMBL2913169 0.85 CRBN (0.40) CRBNCYP3A4GAANPC1
SCHEMBL2914788 0.85 CRBN (0.39) CRBNCYP3A4
SCHEMBL2912404 0.85 CRBN (0.39) CRBNCYP3A4MTOR
SCHEMBL2913326 0.84 CRBN (0.38) CRBNCYP3A4ACVR1
SCHEMBL1530424 0.82 CRBN (0.37) CRBNCYP3A4RIPK2ACVR1NOD2

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