SCHEMBL7112331

SCHEMBL7112331

CC(C)C(O)CONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1Cl.CC(C)CC(O)CONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.49
MAP2K2 P36507 6/20 0.49
BRAF P15056 1/20 0.43
MAPK1 P28482 1/20 0.43
MAP2K5 Q13163 1/20 0.43
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

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
SCHEMBL4862287 0.97 MAP2K1 (0.52) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4863549 0.94 MAP2K1 (0.50) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL7048023 0.93 MAP2K1 (0.57) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL7112778 0.92 MAP2K1 (0.49) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4853620 0.90 MAP2K1 (0.48) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4851796 0.89 MAP2K1 (0.48) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4853469 0.89 MAP2K1 (0.54) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4853410 0.89 MAP2K1 (0.61) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4853911 0.88 MAP2K1 (0.51) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL7049520 0.88 MAP2K1 (0.64) 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