SCHEMBL7053082

SCHEMBL7053082

Cc1cc(I)ccc1Nc1cc(F)c(Cl)cc1C(=O)NOC(C)(C)CCO.Cc1cc(I)ccc1Nc1cc(F)c(Cl)cc1C(=O)NOC(C)CCO

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.42
MAP2K2 P36507 6/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAP2K5 Q13163 1/20 0.37
EIF2AK1 Q9BQI3 1/20 0.37

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
SCHEMBL7050648 0.94 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL7051406 0.94 MAP2K1 (0.41) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL4862022 0.92 MAP2K1 (0.46) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4861502 0.92 MAP2K1 (0.46) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4859472 0.85 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL4851753 0.85 MAP2K1 (0.44) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL4861883 0.85 MAP2K1 (0.53) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4862027 0.85 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL4859852 0.85 MAP2K1 (0.45) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4863317 0.85 MAP2K1 (0.45) 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