SCHEMBL7054916

SCHEMBL7054916

CC(O)(ONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1F)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.47
MAP2K2 P36507 4/20 0.44
RAF1 P04049 1/20 0.43
PDGFRB P09619 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
AURKC Q9UQB9 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 0.41

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
SCHEMBL7053247 0.94 MAP2K1 (0.49) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7054369 0.93 MEN1 (0.48) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7050075 0.92 MAP2K1 (0.50) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL7050469 0.89 MAP2K1 (0.47) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL7055294 0.87 MAP2K1 (0.53) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7047992 0.86 MAP2K1 (0.47) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4862982 0.85 MAP2K1 (0.59) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL4860749 0.84 MAP2K1 (0.55) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL4863173 0.84 MAP2K1 (0.46) MAP2K1MAP2K2
SCHEMBL4862027 0.83 MAP2K1 (0.51) MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 EP disclosed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 WO disclosed