SCHEMBL7053588

SCHEMBL7053588

CCC(O)CCONC(=O)c1cc(F)c(F)cc1Nc1ccc(I)cc1C.COC(CO)CONC(=O)c1cc(F)c(F)cc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1cc(F)c(F)cc1C(=O)NOCCC(C)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.44
MAP2K2 P36507 5/20 0.44
MAP2K5 Q13163 2/20 0.44
BRAF P15056 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EIF2AK1 Q9BQI3 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
SCHEMBL4859812 0.89 MEN1 (0.50) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4862042 0.88 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4862914 0.87 MAP2K1 (0.53) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4861500 0.85 MAP2K1 (0.54) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4860634 0.83 MAP2K1 (0.56) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL7054994 0.82 MAP2K1 (0.64) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4862913 0.82 MEN1 (0.52) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4863142 0.82 MAP2K1 (0.51) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4857078 0.82 MAP2K1 (0.47) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL4856506 0.81 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5BRAFMAPK1

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