SCHEMBL2914308

SCHEMBL2914308

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2c(=O)cc[nH]c2=O)cc1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
CRBN Q96SW2 1/20 0.35
CYP17A1 P05093 6/20 0.34
MAPK10 P53779 1/20 0.34
CYP21A2 P08686 2/20 0.33
CYP11B1 P15538 2/20 0.33
PIP4K2A P48426 3/20 0.32
PIP4K2B P78356 3/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
NTRK1 P04629 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
MET P08581 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
SCHEMBL2913825 0.90 CYP3A4 (0.47) CYP3A4IKBKBCHUKCRBNCYP17A1
SCHEMBL2913176 0.89 CYP3A4 (0.46) CYP3A4CRBNMET
SCHEMBL2912679 0.87 CYP3A4 (0.46) CYP3A4IKBKBCHUKCRBNMET
SCHEMBL2913615 0.85 CYP3A4 (0.46) CYP3A4CRBN
SCHEMBL2913786 0.84 CYP3A4 (0.47) CYP3A4CRBN
SCHEMBL2915016 0.84 CYP3A4 (0.47) CYP3A4IKBKBCHUKCRBN
SCHEMBL2915424 0.84 CYP3A4 (0.49) CYP3A4CRBN
SCHEMBL2910162 0.84 CYP3A4 (0.46) CYP3A4CRBN
SCHEMBL479100 0.83 CYP3A4 (0.61) CYP3A4CRBN
SCHEMBL1530298 0.82 CRBN (0.53) CYP3A4IKBKBCHUKCRBNCYP17A1

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