SCHEMBL7051888

SCHEMBL7051888

CC(C)C(O)CONC(=O)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1F.O=C(NOCC(O)C(F)(F)F)c1cc(Cl)c(F)cc1Nc1ccc(I)cc1F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.48
MAP2K2 P36507 4/20 0.48
BRAF P15056 1/20 0.48
MAPK1 P28482 1/20 0.48
MAP2K5 Q13163 1/20 0.48
KCNH2 Q12809 1/20 0.45

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
SCHEMBL7051588 0.95 MAP2K1 (0.47) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4855334 0.95 MAP2K1 (0.52) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4853569 0.94 MAP2K1 (0.53) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL7050602 0.93 MEN1 (0.45) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4863535 0.91 MAP2K1 (0.48) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL6291632 0.90 MAP2K1 (0.52) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4856809 0.88 MEN1 (0.47) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4863539 0.88 KCNH2 (0.56) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4852891 0.88 MAP2K1 (0.55) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL4858465 0.87 MEN1 (0.49) MAP2K1MAP2K2BRAFMAPK1MAP2K5

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