SCHEMBL7053692

SCHEMBL7053692

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.53
MAP2K2 P36507 4/20 0.53
MAPK1 P28482 2/20 0.51
BRAF P15056 1/20 0.51
MAP2K5 Q13163 1/20 0.51
RAF1 P04049 1/20 0.49
PDGFRB P09619 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
AURKC Q9UQB9 1/20 0.49
CAMK2A Q9UQM7 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PIM1 P11309 1/20 0.42
CAMK2B Q13554 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
SCHEMBL4861736 0.97 MAP2K1 (0.56) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4854805 0.92 MAP2K1 (0.60) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7051366 0.92 MAP2K1 (0.62) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4860674 0.91 MAP2K1 (0.54) MAP2K1MAP2K2MAPK1BRAFMAP2K5
Benzamide SCHEMBL7053074 0.90 MAP2K1 (0.53) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4860860 0.89 MAP2K1 (0.66) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4861589 0.88 MAP2K1 (0.66) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4862575 0.88 MEN1 (0.64) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL6291242 0.88 MAP2K1 (0.66) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7053229 0.88 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