SCHEMBL2913565

SCHEMBL2913565

CCC(C)(C)c1cc(-n2c(=O)cc[nH]c2=O)cc(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.58
CYP3A4 P08684 3/20 0.36
BRPF1 P55201 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
BRD4 O60885 6/20 0.32
NR3C1 P04150 1/20 0.31
AR P10275 1/20 0.31
PIP4K2A P48426 2/20 0.31
PIP4K2B P78356 2/20 0.31
EP300 Q09472 1/20 0.31
TP53 P04637 1/20 0.31
PLAU P00749 1/20 0.31
PTGS2 P35354 1/20 0.30
MTOR P42345 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
SCHEMBL2914822 0.93 CRBN (0.58) CRBNCYP3A4BRPF1IKBKBCHUK
SCHEMBL2324103 0.93 CRBN (0.57) CRBNCYP3A4BRPF1IKBKBCHUK
SCHEMBL2913931 0.92 CRBN (0.69) CRBNCYP3A4BRPF1IKBKBCHUK
Alcohol SCHEMBL2909873 0.91 CRBN (0.64) CRBNCYP3A4BRPF1IKBKBCHUK
Water SCHEMBL2915433 0.91 CRBN (0.68) CRBNCYP3A4BRPF1IKBKBCHUK
Methyl Alcohol SCHEMBL2913736 0.90 CRBN (0.67) CRBNCYP3A4BRPF1IKBKBCHUK
Propanol SCHEMBL2911013 0.90 CRBN (0.62) CRBNCYP3A4BRPF1IKBKBCHUK
SCHEMBL2915248 0.89 CRBN (0.58) CRBNCYP3A4BRPF1IKBKBCHUK
SCHEMBL2915262 0.88 CRBN (0.57) CRBNCYP3A4BRPF1IKBKBCHUK
Acetonitrile SCHEMBL2915375 0.88 CRBN (0.64) CRBNCYP3A4BRPF1IKBKBCHUK

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