SCHEMBL2913615

SCHEMBL2913615

COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2c(=O)cc[nH]c2=O)cc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
PDPK1 O15530 1/20 0.34
TNFRSF1A P19438 3/20 0.31
CRBN Q96SW2 1/20 0.31
NR3C1 P04150 1/20 0.31
HDAC1 Q13547 1/20 0.31
FYN P06241 1/20 0.30
CYP1A1 P04798 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP1B1 Q16678 2/20 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
SCHEMBL2913176 0.85 CYP3A4 (0.46) CYP3A4CRBNFYN
SCHEMBL2914308 0.85 CYP3A4 (0.47) CYP3A4CRBN
SCHEMBL2910162 0.84 CYP3A4 (0.46) CYP3A4CRBN
SCHEMBL2913786 0.83 CYP3A4 (0.47) CYP3A4CRBNHDAC1
SCHEMBL2915424 0.83 CYP3A4 (0.49) CYP3A4CRBN
SCHEMBL2915016 0.83 CYP3A4 (0.47) CYP3A4CRBN
SCHEMBL1530088 0.83 CRBN (0.48) CYP3A4PDPK1TNFRSF1ACRBNNR3C1
SCHEMBL1530086 0.83 CRBN (0.48) CYP3A4PDPK1TNFRSF1ACRBNNR3C1
SCHEMBL2913825 0.83 CYP3A4 (0.47) CYP3A4CRBNNR3C1FYN
SCHEMBL2912679 0.82 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