SCHEMBL7052404

SCHEMBL7052404

CCC(O)CCONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOCCC(C)(C)O.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOCCC(C)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.49
MAP2K2 P36507 5/20 0.41
MAP2K5 Q13163 2/20 0.40
EIF2AK1 Q9BQI3 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PIM1 P11309 1/20 0.39
CAMK2B Q13554 1/20 0.39
BRAF P15056 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7159175 0.90 MAP2K1 (0.53) MAP2K1MAP2K2MAP2K5EIF2AK1PIM1
SCHEMBL4851711 0.90 MAP2K1 (0.59) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1
SCHEMBL4860711 0.89 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1
SCHEMBL4863465 0.89 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1
SCHEMBL7050219 0.88 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1
SCHEMBL7047956 0.87 MAP2K1 (0.43) MAP2K1MAP2K2PIM1CAMK2BCYP3A4
SCHEMBL6295247 0.87 MAP2K1 (0.47) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1
SCHEMBL7047882 0.84 MAP2K1 (0.45) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1
SCHEMBL4851949 0.84 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5EIF2AK1MEN1
SCHEMBL4858026 0.83 MAP2K1 (0.60) MAP2K1MAP2K2MAP2K5EIF2AK1PIM1

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