SCHEMBL7047834

SCHEMBL7047834

CC(C)(CO)ONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1Cl.O=C(NOC1(CO)CC1)c1cc(Br)c(F)cc1Nc1ccc(I)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.43
MAP2K2 P36507 5/20 0.39
RAF1 P04049 1/20 0.39
PDGFRB P09619 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
AURKC Q9UQB9 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
KCNK2 O95069 1/20 0.31
KCNK10 P57789 1/20 0.31

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
SCHEMBL4862603 0.92 MAP2K1 (0.44) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7051727 0.91 MAP2K1 (0.46) MAP2K1MAP2K2
SCHEMBL4854495 0.91 MAP2K1 (0.50) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7052136 0.88 MAP2K1 (0.50) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7054856 0.88 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL7053958 0.85 MAP2K1 (0.53) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7051067 0.85 MAP2K1 (0.57) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4852836 0.85 MAP2K1 (0.47) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7052709 0.84 MAP2K1 (0.48) MAP2K1MAP2K2
SCHEMBL4851704 0.84 MAP2K1 (0.43) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2

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