SCHEMBL7052056

SCHEMBL7052056

O=C(NOCC(O)CN1CCOCC1)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F.O=C(NOCC(O)CO)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.79
MAP2K2 P36507 3/20 0.79
BRAF P15056 1/20 0.62
MAPK1 P28482 1/20 0.62
MAP2K5 Q13163 1/20 0.62

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
SCHEMBL4856556 0.97 MAP2K1 (0.73) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4861551 0.91 MAP2K1 (0.62) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4853558 0.89 MAP2K1 (0.61) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4864335 0.89 MAP2K1 (0.61) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL2721678 0.89 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL29353563 0.89 MAP2K1 (1.00) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4861250 0.88 MAP2K1 (0.58) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4862385 0.86 MAP2K1 (0.71) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL7051122 0.86 MAP2K1 (0.59) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4863043 0.86 MAP2K1 (0.56) 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