SCHEMBL7053958

SCHEMBL7053958

CC(C)(CO)ONC(=O)c1cc(F)c(F)c(F)c1Nc1ccc(I)cc1Cl.O=C(NOC1(CO)CC1)c1cc(F)c(F)c(F)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.53
MAP2K2 P36507 4/20 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 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.39
MAP2K5 Q13163 1/20 0.39

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
SCHEMBL7049569 0.94 MAP2K1 (0.52) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7052136 0.92 MAP2K1 (0.50) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7051067 0.92 MAP2K1 (0.57) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4862792 0.92 MAP2K1 (0.54) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4864091 0.91 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4853156 0.85 MAP2K1 (0.52) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7047834 0.85 MAP2K1 (0.43) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4858455 0.84 MAP2K1 (0.61) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861103 0.84 MAP2K1 (0.54) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4856798 0.83 MAP2K1 (0.54) MAP2K1MAP2K2MEN1KMT2ATDP1

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