SCHEMBL7052649

SCHEMBL7052649

Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOCC(O)C(C)C.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOCC(O)CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.49
MAP2K2 P36507 5/20 0.45
MAPK1 P28482 2/20 0.45
MAP2K5 Q13163 2/20 0.45
BRAF P15056 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EIF2AK1 Q9BQI3 1/20 0.40

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
SCHEMBL4862268 0.95 MAP2K1 (0.53) MAP2K1MAP2K2MAPK1MAP2K5BRAF
SCHEMBL4861059 0.94 MAP2K1 (0.55) MAP2K1MAP2K2MAPK1MAP2K5BRAF
SCHEMBL7047013 0.90 MEN1 (0.47) MAP2K1MAP2K2MAPK1MAP2K5BRAF
SCHEMBL4861013 0.87 MAP2K1 (0.48) MAP2K1MAP2K2MAPK1MAP2K5BRAF
SCHEMBL7112778 0.87 MAP2K1 (0.49) MAP2K1MAP2K2MAPK1MAP2K5BRAF
SCHEMBL4861446 0.87 MAP2K1 (0.59) MAP2K1MAP2K2MAPK1MAP2K5BRAF
SCHEMBL4861383 0.87 MAP2K1 (0.56) MAP2K1MAP2K2MAPK1MAP2K5BRAF
SCHEMBL4860879 0.86 MAP2K1 (0.60) MAP2K1MAP2K2MAPK1MAP2K5BRAF
SCHEMBL4862262 0.86 MAP2K1 (0.56) MAP2K1MAP2K2MAPK1MAP2K5BRAF
SCHEMBL4851751 0.85 MAP2K1 (0.56) MAP2K1MAP2K2MAPK1MAP2K5BRAF

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