SCHEMBL3763864

SCHEMBL3763864

COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2C(=O)O)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CRBN Q96SW2 1/20 0.41
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
WDR5 P61964 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL479100 0.87 CYP3A4 (0.61) CYP3A4CRBN
Water SCHEMBL2484221 0.86 CYP3A4 (0.60) CYP3A4CRBN
Water SCHEMBL2908232 0.85 CYP3A4 (0.59) CYP3A4CRBN
SCHEMBL1530243 0.83 CRBN (0.60) CYP3A4CRBNFABP4FABP5WDR5
SCHEMBL1530238 0.83 CRBN (0.60) CYP3A4CRBNFABP4FABP5WDR5
SCHEMBL2111470 0.81 CRBN (0.42) CYP3A4CRBNFABP4FABP5KDM4E
SCHEMBL2111469 0.81 CRBN (0.42) CYP3A4CRBNFABP4FABP5KDM4E
SCHEMBL2712526 0.80 CYP3A4 (0.42) CYP3A4CRBNFABP4FABP5WDR5
SCHEMBL2712525 0.80 CYP3A4 (0.42) CYP3A4CRBNFABP4FABP5WDR5
SCHEMBL2913914 0.80 CRBN (0.42) CYP3A4CRBNKDM4EMEN1ALDH1A1

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-2203430-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS Abbott Laboratories (US) 2010-07-07 EP disclosed
WO-2009039135-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed