SCHEMBL6952084

SCHEMBL6952084

O=C(NO)c1cc([N+](=O)[O-])c(Oc2ccccc2)c(F)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.47
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
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL6950685 0.92 MAP2K1 (0.54) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6947367 0.85 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6944261 0.84 MAP2K1 (0.49) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6948491 0.82 MAP2K1 (0.47) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6950398 0.81 MAP2K1 (0.46) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6950493 0.78 MAP2K1 (0.43) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7160059 0.77 MAP2K1 (0.46) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6035272 0.77 MAP2K1 (0.64) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6035416 0.76 MAP2K1 (0.60) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL6944361 0.76 MAP2K1 (0.57) 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