SCHEMBL6944261

SCHEMBL6944261

O=C(NO)c1cc([N+](=O)[O-])c(Nc2ccccc2)c(F)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.49
CXCR2 P25025 3/20 0.43
MAP2K2 P36507 2/20 0.41
RAF1 P04049 1/20 0.41
PDGFRB P09619 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
AURKC Q9UQB9 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
HCAR3 P49019 1/20 0.39
HSP90AA1 P07900 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APP P05067 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
SCHEMBL6944361 0.91 MAP2K1 (0.57) MAP2K1CXCR2MAP2K2RAF1PDGFRB
SCHEMBL6951223 0.88 MAP2K1 (0.43) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6948285 0.87 ALDH1A1 (0.42) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6946602 0.87 MAP2K1 (0.42) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6944280 0.86 MAP2K1 (0.57) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6950493 0.86 MAP2K1 (0.43) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6948480 0.85 MAP2K1 (0.44) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6035272 0.85 MAP2K1 (0.64) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6952084 0.84 MAP2K1 (0.47) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6948491 0.84 MAP2K1 (0.47) 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 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