SCHEMBL7052571

SCHEMBL7052571

CC(C)(ONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1Cl)C(O)CO.CC(CCO)ONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.39
MAP2K2 P36507 6/20 0.39
RAF1 P04049 1/20 0.36
PDGFRB P09619 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
AURKC Q9UQB9 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
MAP2K5 Q13163 2/20 0.34
BRAF P15056 1/20 0.34
MAPK1 P28482 1/20 0.34
EIF2AK1 Q9BQI3 1/20 0.33

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
SCHEMBL7056263 0.93 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4857360 0.92 MAP2K1 (0.44) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7055274 0.92 MAP2K1 (0.39) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4861316 0.91 MAP2K1 (0.42) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7054242 0.89 MAP2K1 (0.51) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4857093 0.85 MAP2K1 (0.43) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4860960 0.85 MAP2K1 (0.44) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7052568 0.85 MAP2K1 (0.43) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4858426 0.84 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4856717 0.84 MAP2K1 (0.42) 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 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