SCHEMBL7047682

SCHEMBL7047682

CC(C)(CO)CONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1Cl.O=C(NOCC(O)COc1ccccc1)c1ccc(F)cc1Nc1ccc(I)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.44
MAP2K2 P36507 6/20 0.44
MAPK1 P28482 2/20 0.44
BRAF P15056 1/20 0.44
MAP2K5 Q13163 1/20 0.44
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

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
SCHEMBL4860696 0.92 MAP2K1 (0.48) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4859992 0.87 MAP2K1 (0.48) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4863771 0.84 MAP2K1 (0.52) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4861885 0.84 MAP2K1 (0.58) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4856790 0.83 MAP2K1 (0.49) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7047868 0.83 MAP2K1 (0.55) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7053970 0.83 MAP2K1 (0.57) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4861575 0.82 MAP2K1 (0.48) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4860651 0.82 MAP2K1 (0.48) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4862173 0.82 MAP2K1 (0.50) MAP2K1MAP2K2MAPK1BRAFMAP2K5

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