SCHEMBL7051616

SCHEMBL7051616

O=C(NOCC(O)CO)c1cc(F)c(F)c(F)c1Nc1ccc(I)cc1F.O=C(NOCCC(O)CO)c1cc(F)c(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.75
MAP2K2 P36507 5/20 0.75
BRAF P15056 1/20 0.73
MAPK1 P28482 1/20 0.73
MAP2K5 Q13163 1/20 0.73

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
SCHEMBL4861213 0.96 MAP2K1 (0.69) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4863099 0.94 MAP2K1 (0.84) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4861391 0.90 MAP2K1 (0.62) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4860646 0.88 MAP2K1 (0.83) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4853812 0.88 MAP2K1 (0.66) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL6291143 0.88 MAP2K1 (0.58) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL6292121 0.88 MEN1 (0.67) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4861418 0.87 MAP2K1 (0.69) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4853163 0.87 MAP2K1 (0.82) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4851699 0.87 MAP2K1 (0.71) 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