SCHEMBL7056263

SCHEMBL7056263

CC(C)(ONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1F)C(O)CO.CC(CCO)ONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.46
MAP2K2 P36507 6/20 0.46
MAP2K5 Q13163 2/20 0.40
BRAF P15056 1/20 0.40
MAPK1 P28482 1/20 0.40
EIF2AK1 Q9BQI3 1/20 0.39

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
SCHEMBL7055274 0.94 MAP2K1 (0.39) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL7052571 0.93 MAP2K1 (0.39) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4858426 0.92 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4851842 0.90 MAP2K1 (0.49) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL7048702 0.89 MAP2K1 (0.44) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4857395 0.85 MAP2K1 (0.45) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4862010 0.85 MAP2K1 (0.53) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4858408 0.85 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4857360 0.84 MAP2K1 (0.44) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4859498 0.83 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5EIF2AK1

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