SCHEMBL7052525

SCHEMBL7052525

COCCOCCONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1F.O=C(NOCCCO)c1ccc(F)cc1Nc1ccc(I)cc1F.O=C(NOCCO)c1ccc(F)cc1Nc1ccc(I)cc1F

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.62
MAP2K2 P36507 4/20 0.59
MAP2K5 Q13163 1/20 0.53
EIF2AK1 Q9BQI3 1/20 0.53
PIM1 P11309 1/20 0.52
CAMK2B Q13554 1/20 0.52

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
SCHEMBL4861597 0.93 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5EIF2AK1PIM1
SCHEMBL4863269 0.92 MAP2K1 (0.72) MAP2K1MAP2K2
SCHEMBL4861366 0.91 MAP2K1 (0.64) MAP2K1MAP2K2MAP2K5EIF2AK1PIM1
SCHEMBL7053923 0.89 MAP2K1 (0.68) MAP2K1MAP2K2
SCHEMBL4856919 0.88 MAP2K1 (0.72) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL4861549 0.86 MAP2K1 (0.63) MAP2K1MAP2K2MAP2K5EIF2AK1PIM1
SCHEMBL7051635 0.85 MAP2K1 (0.69) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL4863225 0.85 MAP2K1 (0.61) MAP2K1MAP2K2MAP2K5EIF2AK1PIM1
SCHEMBL4859873 0.84 MAP2K1 (0.49) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL4856709 0.84 MAP2K1 (0.67) MAP2K1MAP2K2MAP2K5EIF2AK1

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