SCHEMBL2913138

SCHEMBL2913138

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.53
BRPF1 P55201 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
BRD4 O60885 6/20 0.35
PIP4K2A P48426 2/20 0.34
PIP4K2B P78356 2/20 0.34
TP53 P04637 1/20 0.34
PLAU P00749 1/20 0.34
DCLK1 O15075 1/20 0.34
MAPK7 Q13164 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PTGS2 P35354 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 2/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
IRAK1 P51617 1/20 0.33
PTK2 Q05397 1/20 0.33
SRPK1 Q96SB4 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
SCHEMBL2915591 0.90 CRBN (0.52) CRBNBRPF1IKBKBCHUKBRD4
SCHEMBL2911158 0.90 CRBN (0.52) CRBNBRPF1IKBKBCHUKBRD4
SCHEMBL2914093 0.90 CRBN (0.52) CRBNBRPF1IKBKBCHUKBRD4
SCHEMBL2913874 0.90 CRBN (0.54) CRBNBRPF1IKBKBCHUKBRD4
SCHEMBL2913931 0.88 CRBN (0.69) CRBNBRPF1IKBKBCHUKBRD4
SCHEMBL2915248 0.88 CRBN (0.58) CRBNBRPF1IKBKBCHUKBRD4
Water SCHEMBL2915433 0.88 CRBN (0.68) CRBNBRPF1IKBKBCHUKBRD4
SCHEMBL2319969 0.88 CRBN (0.50) CRBNBRPF1IKBKBCHUKBRD4
SCHEMBL2910644 0.87 CRBN (0.49) CRBNBRPF1IKBKBCHUKBRD4
SCHEMBL2913845 0.87 CRBN (0.49) CRBNBRD4PTK2JAK2JAK1

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