SCHEMBL7051366

SCHEMBL7051366

CCC(O)CONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1Cl.O=C(NOCC(O)COc1ccccc1)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.62
MAP2K2 P36507 5/20 0.62
MAPK1 P28482 2/20 0.47
BRAF P15056 1/20 0.47
MAP2K5 Q13163 1/20 0.47
CSNK2A2 P19784 2/20 0.46
RAF1 P04049 1/20 0.46
PDGFRB P09619 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
AURKC Q9UQB9 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
SMC2 O95347 1/20 0.42
EGFR P00533 1/20 0.42
SMC1A Q14683 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
Q6ZSR9 Q6ZSR9 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
MEN1 O00255 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
SCHEMBL4861589 0.97 MAP2K1 (0.66) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4860825 0.93 MAP2K1 (0.71) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7053692 0.92 MAP2K1 (0.53) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4860674 0.89 MAP2K1 (0.54) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4861907 0.89 MAP2K1 (0.66) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4861736 0.88 MAP2K1 (0.56) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4853059 0.88 MAP2K1 (0.79) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4859987 0.88 MAP2K1 (0.69) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4861214 0.87 MAP2K1 (0.68) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7053229 0.86 MEN1 (0.51) 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