SCHEMBL7053667

SCHEMBL7053667

COCCONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1cc(F)c(Cl)cc1C(=O)NOC(C)CO

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.48
MAP2K2 P36507 3/20 0.44
MAP2K5 Q13163 1/20 0.44
EIF2AK1 Q9BQI3 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 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
SCHEMBL4859852 0.93 MAP2K1 (0.45) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1
SCHEMBL4860195 0.91 MAP2K1 (0.53) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1
SCHEMBL7051223 0.89 MAP2K1 (0.45) MAP2K1MAP2K2MAP2K5EIF2AK1PIM1
SCHEMBL4862342 0.89 MAP2K1 (0.51) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1
SCHEMBL7047085 0.86 MAP2K1 (0.54) MAP2K1MAP2K2MAP2K5EIF2AK1PIM1
SCHEMBL4861502 0.86 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1
SCHEMBL4862057 0.86 MAP2K1 (0.51) MAP2K1MAP2K2MAP2K5
SCHEMBL4860693 0.86 MAP2K1 (0.45) MAP2K1MAP2K2MAP2K5
SCHEMBL4852850 0.86 MAP2K1 (0.63) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1
SCHEMBL4859886 0.85 MEN1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1

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