SCHEMBL4596558

SCHEMBL4596558

O=C(NOC[C@@H](O)CO)c1ccc(F)c(F)c1Nc1ncc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.60
MAP2K2 P36507 5/20 0.60
MAPK1 P28482 2/20 0.60
BRAF P15056 1/20 0.60
MAP2K5 Q13163 1/20 0.60
RAF1 P04049 1/20 0.43
PDGFRB P09619 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
AURKC Q9UQB9 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43

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
SCHEMBL4596552 1.00 MAP2K1 (0.60) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4596561 1.00 MAP2K1 (0.60) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14222547 0.91 MAP2K1 (0.58) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219613 0.91 MAP2K1 (0.58) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14223026 0.90 MAP2K1 (0.49) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14223055 0.90 MAP2K1 (0.56) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14222539 0.90 MAP2K1 (0.56) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14222510 0.89 MAP2K1 (0.47) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219748 0.86 MAP2K1 (0.62) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14222546 0.86 MAP2K1 (0.62) 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
WO-2008041088-A2 N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2008-04-10 WO disclosed
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed