SCHEMBL6951223

SCHEMBL6951223

NS(=O)(=O)c1ccc(Nc2c([N+](=O)[O-])cc(C(=O)NO)c(Nc3ccc(I)cc3Cl)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.43
ALDH1A1 P00352 1/20 0.41
CA1 P00915 7/20 0.40
CA2 P00918 7/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAF1 P04049 1/20 0.40
PDGFRB P09619 1/20 0.40
CSNK2A2 P19784 1/20 0.40
MAP2K2 P36507 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
AURKC Q9UQB9 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
CA9 Q16790 5/20 0.39
CA12 O43570 4/20 0.38
MAPT P10636 5/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6948285 0.92 ALDH1A1 (0.42) MAP2K1ALDH1A1CA1CA2MEN1
SCHEMBL6946551 0.91 MAP2K1 (0.52) MAP2K1ALDH1A1CA1CA2MEN1
SCHEMBL6944261 0.88 MAP2K1 (0.49) MAP2K1MEN1KMT2ARAF1PDGFRB
SCHEMBL6950493 0.87 MAP2K1 (0.43) MAP2K1ALDH1A1CA1CA2RAF1
SCHEMBL6944152 0.86 MAP2K1 (0.61) MAP2K1ALDH1A1MEN1KMT2ARAF1
SCHEMBL6946602 0.85 MAP2K1 (0.42) MAP2K1ALDH1A1MEN1KMT2ARAF1
SCHEMBL27565261 0.84 MAP2K1 (0.44) MAP2K1ALDH1A1MEN1KMT2ARAF1
SCHEMBL6948480 0.83 MAP2K1 (0.44) MAP2K1ALDH1A1MEN1KMT2ARAF1
SCHEMBL6947427 0.83 MAP2K1 (0.48) MAP2K1ALDH1A1CA1CA2MEN1
SCHEMBL6944361 0.80 MAP2K1 (0.57) MAP2K1MEN1KMT2ARAF1PDGFRB

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 6 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 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