SCHEMBL7047992

SCHEMBL7047992

CC(O)(ONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1Cl)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.47
MAP2K2 P36507 3/20 0.47
RAF1 P04049 1/20 0.47
PDGFRB P09619 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
AURKC Q9UQB9 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRA2A P08913 1/20 0.34
ADRA2B P18089 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
SCHEMBL7053247 0.92 MAP2K1 (0.49) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7050469 0.92 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL7048021 0.90 MEN1 (0.48) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7051997 0.86 MAP2K1 (0.53) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4854495 0.86 MAP2K1 (0.50) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7054916 0.86 MAP2K1 (0.47) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4863411 0.85 MAP2K1 (0.48) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4857360 0.85 MAP2K1 (0.44) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7054369 0.84 MEN1 (0.48) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
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