SCHEMBL7050002

SCHEMBL7050002

CC(CO)ONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl.Cc1cc(I)ccc1Nc1c(C(=O)N(Cl)OC(C)CO)ccc(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.52
MAP2K2 P36507 10/20 0.52
RAF1 P04049 1/20 0.52
PDGFRB P09619 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52
AURKC Q9UQB9 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
BRAF P15056 1/20 0.47
MAPK1 P28482 1/20 0.47
MAP2K5 Q13163 1/20 0.47
PIM1 P11309 1/20 0.44
CAMK2B Q13554 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43

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
SCHEMBL4851717 0.88 MAP2K1 (0.65) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861933 0.87 MAP2K1 (0.60) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7052730 0.85 MAP2K1 (0.50) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7052710 0.82 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861781 0.81 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4856694 0.80 MEN1 (0.54) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4863143 0.80 MAP2K1 (0.59) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4857449 0.80 MAP2K1 (0.70) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4860913 0.79 MAP2K1 (0.52) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7052179 0.79 MAP2K1 (0.51) 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 claimed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 WO claimed