SCHEMBL2913874

SCHEMBL2913874

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2c(=O)cc[nH]c2=O)cc1S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.54
BRD4 O60885 7/20 0.36
BRPF1 P55201 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
CYP3A4 P08684 3/20 0.34
PIP4K2A P48426 2/20 0.34
PIP4K2B P78356 2/20 0.34
TP53 P04637 1/20 0.33
PLAU P00749 1/20 0.33
ESR1 P03372 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL2913138 0.90 CRBN (0.53) CRBNBRD4BRPF1IKBKBCHUK
SCHEMBL2913931 0.89 CRBN (0.69) CRBNBRD4BRPF1IKBKBCHUK
SCHEMBL2914093 0.89 CRBN (0.52) CRBNBRD4BRPF1IKBKBCHUK
SCHEMBL2911158 0.89 CRBN (0.52) CRBNBRD4BRPF1IKBKBCHUK
SCHEMBL2915591 0.89 CRBN (0.52) CRBNBRD4BRPF1IKBKBCHUK
Water SCHEMBL2915433 0.89 CRBN (0.68) CRBNBRD4BRPF1IKBKBCHUK
Methyl Alcohol SCHEMBL2913736 0.88 CRBN (0.67) CRBNBRD4BRPF1IKBKBCHUK
SCHEMBL2319969 0.87 CRBN (0.50) CRBNBRD4BRPF1IKBKBCHUK
SCHEMBL2915248 0.87 CRBN (0.58) CRBNBRD4BRPF1IKBKBCHUK
SCHEMBL2913565 0.86 CRBN (0.58) CRBNBRD4BRPF1IKBKBCHUK

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