SCHEMBL2915016

SCHEMBL2915016

COc1c(I)cc(-n2c(=O)cc[nH]c2=O)cc1/C=C/c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
PTGS2 P35354 1/20 0.31
CRBN Q96SW2 1/20 0.31
TEAD2 Q15562 1/20 0.30
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30
FLT3 P36888 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
SCHEMBL2915424 0.89 CYP3A4 (0.49) CYP3A4PTGS2CRBNTEAD2FLT3
SCHEMBL2913786 0.89 CYP3A4 (0.47) CYP3A4PTGS2CRBNTEAD2FLT3
SCHEMBL479100 0.87 CYP3A4 (0.61) CYP3A4PTGS2CRBN
Water SCHEMBL2484221 0.86 CYP3A4 (0.60) CYP3A4PTGS2CRBN
Water SCHEMBL2908232 0.86 CYP3A4 (0.59) CYP3A4CRBN
SCHEMBL2914308 0.84 CYP3A4 (0.47) CYP3A4CRBNIKBKBCHUK
SCHEMBL2913043 0.84 CYP3A4 (0.51) CYP3A4PTGS2CRBN
SCHEMBL2912679 0.83 CYP3A4 (0.46) CYP3A4CRBNIKBKBCHUK
SCHEMBL2913615 0.83 CYP3A4 (0.46) CYP3A4CRBN
SCHEMBL2913176 0.83 CYP3A4 (0.46) CYP3A4CRBN

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 4 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
EP-2203430-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS Abbott Laboratories (US) 2010-07-07 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039135-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed