SCHEMBL7052136

SCHEMBL7052136

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.50
MAP2K2 P36507 4/20 0.47
CSNK2A2 P19784 2/20 0.44
RAF1 P04049 1/20 0.44
PDGFRB P09619 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
AURKC Q9UQB9 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMC2 O95347 1/20 0.37
EGFR P00533 1/20 0.37
SMC1A Q14683 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
Q6ZSR9 Q6ZSR9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37

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 0.93 MAP2K1 (0.52) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL7053958 0.92 MAP2K1 (0.53) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4854400 0.92 MAP2K1 (0.54) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4856547 0.91 MAP2K1 (0.58) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL7051067 0.89 MAP2K1 (0.57) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL7047834 0.88 MAP2K1 (0.43) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4860732 0.84 MAP2K1 (0.53) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4853156 0.84 MAP2K1 (0.52) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB
SCHEMBL4862418 0.83 MEN1 (0.54) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4862792 0.83 MAP2K1 (0.54) MAP2K1MAP2K2CSNK2A2RAF1PDGFRB

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