SCHEMBL6947427

SCHEMBL6947427

NS(=O)(=O)c1cccc(Nc2c([N+](=O)[O-])cc(C(=O)O)c(Nc3ccc(I)cc3Cl)c2F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.48
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CA2 P00918 9/20 0.39
CA1 P00915 8/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA9 Q16790 4/20 0.39
CA12 O43570 3/20 0.39
MAP2K2 P36507 2/20 0.38
AURKA O14965 2/20 0.38
TNFRSF1A P19438 2/20 0.38
MAP3K9 P80192 2/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL6948285 0.92 ALDH1A1 (0.42) MAP2K1MAPTPOLBTDP1ALDH1A1
SCHEMBL6946551 0.91 MAP2K1 (0.52) MAP2K1MAPTPOLBTDP1ALDH1A1
SCHEMBL6944361 0.88 MAP2K1 (0.57) MAP2K1MAPTKDM4EMEN1KMT2A
SCHEMBL6035272 0.86 MAP2K1 (0.64) MAP2K1KDM4EMEN1KMT2AMAP2K2
SCHEMBL6946808 0.85 MAP2K1 (0.51) MAP2K1MAPTPOLBTDP1ALDH1A1
SCHEMBL6951185 0.85 MAP2K1 (0.58) MAP2K1MAPTPOLBTDP1ALDH1A1
SCHEMBL6951223 0.83 MAP2K1 (0.43) MAP2K1MAPTPOLBTDP1ALDH1A1
SCHEMBL6944261 0.80 MAP2K1 (0.49) MAP2K1MAPTMEN1KMT2AL3MBTL1
SCHEMBL6035416 0.79 MAP2K1 (0.60) MAP2K1MEN1KMT2AMAP2K2AURKA
SCHEMBL6949973 0.78 MAP2K1 (0.50) MAP2K1MAPTTDP1ALDH1A1KDM4E

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