SCHEMBL7051495

SCHEMBL7051495

CC(C)(CO)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F.O=C(NOCCO)c1cc(F)c(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.75
MAP2K2 P36507 3/20 0.75
PIM1 P11309 1/20 0.64
CAMK2B Q13554 1/20 0.64
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
BRAF P15056 1/20 0.58
MAPK1 P28482 1/20 0.58
MAP2K5 Q13163 1/20 0.58

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
SCHEMBL4853619 0.91 MAP2K1 (0.73) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL4862328 0.91 MAP2K1 (0.60) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4858053 0.87 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL29482205 0.87 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL4863091 0.87 MAP2K1 (0.80) MAP2K1MAP2K2
SCHEMBL4857738 0.84 MAP2K1 (0.59) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4853305 0.84 MAP2K1 (0.69) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL4857131 0.84 MEN1 (0.69) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4859617 0.84 MAP2K1 (0.62) MAP2K1MAP2K2PIM1CAMK2BHDAC3
SCHEMBL4863391 0.84 MAP2K1 (0.56) MAP2K1MAP2K2PIM1CAMK2BBRAF

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