SCHEMBL7051408

SCHEMBL7051408

CC(O)(ONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F)C1CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.63
MAP2K2 P36507 4/20 0.63
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PIM1 P11309 1/20 0.48
CAMK2B Q13554 1/20 0.48
BRAF P15056 1/20 0.47
MAPK1 P28482 1/20 0.47
MAP2K5 Q13163 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
SCHEMBL6768531 0.92 MEN1 (0.59) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7051997 0.91 MAP2K1 (0.53) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7055294 0.89 MAP2K1 (0.53) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7050469 0.87 MAP2K1 (0.47) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL4861792 0.86 MAP2K1 (0.70) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL4862633 0.84 MAP2K1 (0.70) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4860717 0.84 MAP2K1 (0.64) MAP2K1MAP2K2
SCHEMBL4851852 0.84 MAP2K1 (0.69) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL7052553 0.83 MAP2K1 (0.57) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7048850 0.82 MEN1 (0.57) 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