SCHEMBL7053384

SCHEMBL7053384

CCC(C)(O)ONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAP2K1 Q02750 17/20 0.43
MAP2K2 P36507 7/20 0.39
IDO1 P14902 2/20 0.39
MAP2K5 Q13163 1/20 0.37
EIF2AK1 Q9BQI3 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
SCHEMBL4863799 0.88 MAP2K1 (0.53) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL7048021 0.88 MEN1 (0.48) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4861179 0.87 MAP2K1 (0.46) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4856864 0.86 MEN1 (0.48) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4857395 0.85 MAP2K1 (0.45) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4853102 0.85 MAP2K1 (0.50) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4861804 0.83 MAP2K1 (0.48) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4862479 0.82 MAP2K1 (0.45) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4851999 0.82 MAP2K1 (0.63) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL4863160 0.82 MAP2K1 (0.53) 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