SCHEMBL2914093

SCHEMBL2914093

COc1c(-c2ccccc2)cc(-n2c(=O)cc[nH]c2=O)cc1-c1ccc2cc(NS(C)(=O)=O)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.52
BRD4 O60885 10/20 0.38
MET P08581 1/20 0.38
PLAU P00749 2/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
BRPF1 P55201 1/20 0.36
EP300 Q09472 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35

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
SCHEMBL2913845 0.91 CRBN (0.49) CRBNBRD4METHSP90AA1HSP90AB1
SCHEMBL2913138 0.90 CRBN (0.53) CRBNBRD4PLAUJAK2JAK1
SCHEMBL2913874 0.89 CRBN (0.54) CRBNBRD4PLAUJAK2JAK1
SCHEMBL2911158 0.89 CRBN (0.52) CRBNBRD4PLAUJAK2JAK1
SCHEMBL2915591 0.89 CRBN (0.52) CRBNBRD4PLAUJAK2JAK1
SCHEMBL2913210 0.88 CRBN (0.48) CRBNBRD4JAK2JAK1TYK2
SCHEMBL2910084 0.88 CRBN (0.48) CRBNBRD4JAK2JAK1TYK2
SCHEMBL2915237 0.88 CRBN (0.49) CRBNBRD4METPLAUJAK2
SCHEMBL2910644 0.88 CRBN (0.49) CRBNBRD4METPLAUJAK2
SCHEMBL2913931 0.88 CRBN (0.69) CRBNBRD4PLAUJAK2JAK1

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-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed