SCHEMBL7051406

SCHEMBL7051406

CC(C)(CCO)ONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1Cl.CC(CCO)ONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.41
MAP2K2 P36507 7/20 0.39
RAF1 P04049 1/20 0.38
PDGFRB P09619 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
AURKC Q9UQB9 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
MAP2K5 Q13163 1/20 0.34
EIF2AK1 Q9BQI3 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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 0.95 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5EIF2AK1CYP3A4
SCHEMBL7053082 0.94 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL4863317 0.91 MAP2K1 (0.45) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4851753 0.91 MAP2K1 (0.44) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4856951 0.87 MAP2K1 (0.44) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4851675 0.87 MAP2K1 (0.45) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4859472 0.86 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL4862027 0.86 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL4862022 0.84 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL4861502 0.84 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5EIF2AK1

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