SCHEMBL7050469

SCHEMBL7050469

CC(O)(ONC(=O)c1cc(Br)c(F)cc1Nc1ccc(I)cc1F)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.47
MAP2K2 P36507 6/20 0.47
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 0.41

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
SCHEMBL7048021 0.93 MEN1 (0.48) MAP2K1MAP2K2
SCHEMBL7050075 0.92 MAP2K1 (0.50) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL7047992 0.92 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL7054916 0.89 MAP2K1 (0.47) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL7051408 0.87 MAP2K1 (0.63) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL4860644 0.85 MAP2K1 (0.59) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL4858426 0.84 MAP2K1 (0.52) MAP2K1MAP2K2
SCHEMBL4853161 0.83 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL4861196 0.83 MAP2K1 (0.54) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL7053247 0.83 MAP2K1 (0.49) MAP2K1MAP2K2

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