SCHEMBL2907957

SCHEMBL2907957

COc1c(I)cc(-n2c(=O)cc[nH]c2=O)cc1NS(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
PTK2 Q05397 5/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK14 Q16539 3/20 0.31
MAPT P10636 1/20 0.31
BRD4 O60885 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
IRAK1 P51617 1/20 0.30
SRPK1 Q96SB4 1/20 0.30
SLK Q9H2G2 1/20 0.30
MAP4K5 Q9Y4K4 1/20 0.30
TSHR P16473 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
SCHEMBL2915016 0.80 CYP3A4 (0.47)
SCHEMBL2915591 0.79 CRBN (0.52) BRD4
SCHEMBL2914114 0.79 KAT2B (0.32) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL2913138 0.78 CRBN (0.53) PTK2BRD4CDK2CDK9IRAK1
SCHEMBL2914850 0.77 KDM4E (0.35) KMT2AMEN1ALDH1A1MAPT
SCHEMBL1530241 0.76 CRBN (0.50) NR3C1PGRNR3C2ARPTK2
SCHEMBL2318670 0.73
SCHEMBL2909912 0.71 CRBN (0.41) KMT2AMEN1ALDH1A1MAPK1MAPK14
SCHEMBL2915298 0.71 CRBN (0.56) ALDH1A1
SCHEMBL2913786 0.70 CYP3A4 (0.47)

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