SCHEMBL7050464

SCHEMBL7050464

CC(C)(CO)ONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F.CCC(CO)ONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.61
MAP2K2 P36507 4/20 0.61
BRAF P15056 1/20 0.46
MAPK1 P28482 1/20 0.46
MAP2K5 Q13163 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
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
SCHEMBL4862585 0.93 MAP2K1 (0.69) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4861792 0.91 MAP2K1 (0.70) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4854962 0.85 MAP2K1 (0.58) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4862065 0.84 MAP2K1 (0.65) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4853334 0.84 MAP2K1 (0.57) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4860717 0.84 MAP2K1 (0.64) MAP2K1MAP2K2
SCHEMBL4853181 0.83 MAP2K1 (0.61) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL4858826 0.82 MAP2K1 (0.73) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4862633 0.82 MAP2K1 (0.70) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4856547 0.82 MAP2K1 (0.58) MAP2K1MAP2K2PIM1CAMK2B

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