SCHEMBL6946808

SCHEMBL6946808

NS(=O)(=O)c1ccccc1Nc1c([N+](=O)[O-])cc(C(=O)O)c(Nc2ccc(I)cc2Cl)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.51
ALDH1A1 P00352 4/20 0.41
SLC25A1 P53007 1/20 0.40
MAP2K2 P36507 2/20 0.39
RAF1 P04049 1/20 0.39
PDGFRB P09619 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
AURKC Q9UQB9 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 1/20 0.37
AURKA O14965 2/20 0.37
TNFRSF1A P19438 2/20 0.37
MAP3K9 P80192 2/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL6950493 0.91 MAP2K1 (0.43) MAP2K1ALDH1A1MAP2K2RAF1PDGFRB
SCHEMBL6035272 0.88 MAP2K1 (0.64) MAP2K1SLC25A1MAP2K2RAF1PDGFRB
SCHEMBL6946551 0.87 MAP2K1 (0.52) MAP2K1ALDH1A1MAP2K2RAF1PDGFRB
SCHEMBL6944361 0.86 MAP2K1 (0.57) MAP2K1SLC25A1MAP2K2RAF1PDGFRB
SCHEMBL6947427 0.85 MAP2K1 (0.48) MAP2K1ALDH1A1SLC25A1MAP2K2RAF1
SCHEMBL6941104 0.84 MAP2K1 (0.60) MAP2K1ALDH1A1MAP2K2RAF1PDGFRB
SCHEMBL6035416 0.81 MAP2K1 (0.60) MAP2K1SLC25A1MAP2K2RAF1PDGFRB
SCHEMBL6266645 0.80 MAP2K1 (0.64) MAP2K1ALDH1A1MAP2K2RAF1PDGFRB
SCHEMBL6951223 0.78 MAP2K1 (0.43) MAP2K1ALDH1A1MAP2K2RAF1PDGFRB
SCHEMBL6944261 0.78 MAP2K1 (0.49) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP claimed
JP-2003504401-A 2003-02-04 JP claimed
US-6506798-B1 4-Arylamino, 4-aryloxy, and 4-arylthio diarylamines and derivatives thereof as selective MEK inhibitors WARNER-LAMBERT COMPANY 2003-01-14 US claimed
CN-1365277-A Methods of treating chronic pain using MEK inhibitors VARNER LAMBERT CO (US) 2002-08-21 CN claimed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP claimed
EP-1144362-A1 4-ARYLAMINO, 4-ARYLOXY, AND 4-ARYLTHIO DIARYLAMINES AND DERIVATIVES THEREOF AS SELECTIVE MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000041994-A1 4-ARYLAMINO, 4-ARYLOXY, AND 4-ARYLTHIO DIARYLAMINES AND DERIVATIVES THEREOF AS SELECTIVE MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP disclosed
US-6506798-B1 4-Arylamino, 4-aryloxy, and 4-arylthio diarylamines and derivatives thereof as selective MEK inhibitors WARNER-LAMBERT COMPANY 2003-01-14 US disclosed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
EP-1144362-A1 4-ARYLAMINO, 4-ARYLOXY, AND 4-ARYLTHIO DIARYLAMINES AND DERIVATIVES THEREOF AS SELECTIVE MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000041994-A1 4-ARYLAMINO, 4-ARYLOXY, AND 4-ARYLTHIO DIARYLAMINES AND DERIVATIVES THEREOF AS SELECTIVE MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed