SCHEMBL7054856

SCHEMBL7054856

CC(C)(CO)ONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1F.O=C(NOC1(CO)CC1)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1F

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.51
MAP2K2 P36507 5/20 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
SCHEMBL4857052 0.91 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL4862982 0.90 MAP2K1 (0.59) MAP2K1MAP2K2
SCHEMBL7047834 0.88 MAP2K1 (0.43) MAP2K1MAP2K2
SCHEMBL7052709 0.86 MAP2K1 (0.48) MAP2K1MAP2K2
SCHEMBL4858652 0.86 MAP2K1 (0.46) MAP2K1MAP2K2
SCHEMBL4861990 0.85 MEN1 (0.44) MAP2K1MAP2K2
SCHEMBL4851893 0.85 MAP2K1 (0.52) MAP2K1MAP2K2
SCHEMBL4861910 0.84 MAP2K1 (0.52) MAP2K1MAP2K2
SCHEMBL7051727 0.84 MAP2K1 (0.46) MAP2K1MAP2K2
SCHEMBL4862027 0.83 MAP2K1 (0.51) MAP2K1MAP2K2

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