SCHEMBL7049976

SCHEMBL7049976

CC(C)(CCO)ONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F.O=C(NOCC1CC1CO)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.57
MAP2K2 P36507 2/20 0.57
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7050771 0.91 MAP2K1 (0.50) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4862611 0.91 MAP2K1 (0.67) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4860717 0.89 MAP2K1 (0.64) MAP2K1MAP2K2
SCHEMBL7050221 0.84 MEN1 (0.54) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4859760 0.84 MEN1 (0.64) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4851941 0.83 MEN1 (0.64) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7048850 0.83 MEN1 (0.57) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4851800 0.82 MAP2K1 (0.59) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4861792 0.82 MAP2K1 (0.70) MAP2K1MAP2K2
SCHEMBL4863513 0.81 MAP2K1 (0.54) MAP2K1MAP2K2MEN1KMT2ATDP1

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