SCHEMBL7052568

SCHEMBL7052568

CC(C)(ONC(=O)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1Cl)C(O)CO.CC(CCO)ONC(=O)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.43
MAP2K2 P36507 5/20 0.42
RAF1 P04049 1/20 0.42
PDGFRB P09619 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
AURKC Q9UQB9 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
BRAF P15056 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K5 Q13163 1/20 0.40

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
SCHEMBL7054242 0.93 MAP2K1 (0.51) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4858620 0.92 MAP2K1 (0.48) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4863439 0.90 MAP2K1 (0.49) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861111 0.86 MAP2K1 (0.55) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4854504 0.86 MAP2K1 (0.49) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861847 0.85 MEN1 (0.51) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4854492 0.85 MAP2K1 (0.51) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7052571 0.85 MAP2K1 (0.39) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4859924 0.84 MAP2K1 (0.58) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4862465 0.84 MAP2K1 (0.55) MAP2K1MAP2K2BRAFMAPK1MAP2K5

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