SCHEMBL7048866

SCHEMBL7048866

Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOC(C)(O)C1CC1.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOCC1CC1CO

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAP2K2 P36507 4/20 0.39
RAF1 P04049 1/20 0.39
PDGFRB P09619 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
AURKC Q9UQB9 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
MAP2K5 Q13163 1/20 0.36
EIF2AK1 Q9BQI3 1/20 0.36

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
SCHEMBL4854396 0.91 MAP2K1 (0.58) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL7050134 0.85 MEN1 (0.57) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL7048850 0.85 MEN1 (0.57) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL7048867 0.84 MAP2K1 (0.51) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL7050108 0.83 MAP2K1 (0.49) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4863279 0.82 MAP2K1 (0.59) MAP2K1MAP2K2MAP2K5
SCHEMBL4864642 0.81 MEN1 (0.58) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4858590 0.81 MAP2K1 (0.55) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL5398773 0.80 MAP2K1 (0.75) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4859343 0.79 MEN1 (0.53) MAP2K1MEN1KMT2ATDP1MAP2K2

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