SCHEMBL7050185

SCHEMBL7050185

CCOCCONC(=O)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1C.COC(CO)CONC(=O)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAP2K1 Q02750 18/20 0.46
MAP2K2 P36507 4/20 0.46
BRAF P15056 1/20 0.44
MAPK1 P28482 1/20 0.44
MAP2K5 Q13163 1/20 0.44
PIM1 P11309 1/20 0.43
CAMK2B Q13554 1/20 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
SCHEMBL4860684 0.93 MEN1 (0.55) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7048860 0.92 MEN1 (0.58) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4864347 0.90 MEN1 (0.58) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4862686 0.86 MAP2K1 (0.54) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4853359 0.85 MAP2K1 (0.62) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4863951 0.85 MEN1 (0.58) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4861086 0.84 MEN1 (0.67) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4857428 0.84 MEN1 (0.60) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7050199 0.84 MAP2K1 (0.53) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4862524 0.83 MAP2K1 (0.55) MEN1KMT2ATDP1MAP2K1MAP2K2

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