SCHEMBL7047013

SCHEMBL7047013

Cc1cc(I)ccc1Nc1cc(F)c(F)cc1C(=O)NOCC(O)C(C)C.Cc1cc(I)ccc1Nc1cc(F)c(F)cc1C(=O)NOCC(O)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAP2K1 Q02750 19/20 0.46
MAP2K2 P36507 4/20 0.46
BRAF P15056 1/20 0.46
MAPK1 P28482 1/20 0.46
MAP2K5 Q13163 1/20 0.46

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
SCHEMBL4858224 0.95 MEN1 (0.50) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4854766 0.94 MEN1 (0.52) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7112778 0.93 MAP2K1 (0.49) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7052649 0.90 MAP2K1 (0.49) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4863971 0.88 MAP2K1 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4863499 0.88 MAP2K1 (0.53) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4861580 0.88 MAP2K1 (0.58) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4853620 0.87 MAP2K1 (0.48) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4862913 0.87 MEN1 (0.52) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4856666 0.86 MAP2K1 (0.50) MEN1KMT2ATDP1MAP2K1MAP2K2

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