SCHEMBL7050650

SCHEMBL7050650

CCC(O)CON(Cl)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl.CCC(O)CONC(=O)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.52
MAP2K2 P36507 5/20 0.52
MAPK1 P28482 2/20 0.52
BRAF P15056 1/20 0.52
MAP2K5 Q13163 1/20 0.52
RAF1 P04049 1/20 0.51
PDGFRB P09619 1/20 0.51
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51
AURKC Q9UQB9 1/20 0.51
CAMK2A Q9UQM7 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PIM1 P11309 1/20 0.43
CAMK2B Q13554 1/20 0.43
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40

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
SCHEMBL7054397 0.92 MAP2K1 (0.48) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7053678 0.89 MAP2K1 (0.46) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7053080 0.87 MAP2K1 (0.56) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4853096 0.86 MEN1 (0.58) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7050232 0.86 MAP2K1 (0.53) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7048028 0.86 MAP2K1 (0.52) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4853832 0.85 MAP2K1 (0.58) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7049579 0.84 MAP2K1 (0.51) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL7048826 0.84 MAP2K1 (0.61) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4861439 0.84 MAP2K1 (0.71) MAP2K1MAP2K2MAPK1BRAFMAP2K5

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 claimed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 WO claimed