SCHEMBL2910591

SCHEMBL2910591

COc1c(C#Cc2ccc(NS(C)(=O)=O)cc2C(=O)N2CCOCC2)cc(-n2c(=O)cc[nH]c2=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 0.34
PIK3CG P48736 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PIK3CD O00329 2/20 0.34
PIK3R2 O00459 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3R5 Q8WYR1 2/20 0.34
PIK3R3 Q92569 2/20 0.34
ALDH1A1 P00352 2/20 0.32
PABPC1 P11940 1/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2910784 0.87 CRBN (0.41) CRBNCYP3A4
SCHEMBL1530844 0.85 CRBN (0.54) CRBNCYP3A4PIK3CGSMN1; SMN2PIK3CD
SCHEMBL3105519 0.83 CRBN (0.42) CRBNCYP3A4
SCHEMBL2913314 0.83 CRBN (0.42) CRBNCYP3A4
SCHEMBL2909603 0.82 CRBN (0.42) CRBNCYP3A4GAAHPGD
SCHEMBL2913952 0.82 CRBN (0.40) CRBNCYP3A4ALDH1A1
SCHEMBL478603 0.81 CRBN (0.42) CRBNCYP3A4
SCHEMBL2907207 0.78 CRBN (0.39) CRBNCYP3A4
SCHEMBL2913914 0.74 CRBN (0.42) CRBNCYP3A4SMN1; SMN2ALDH1A1HPGD
SCHEMBL2907834 0.74 CRBN (0.35) 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