SCHEMBL4596382

SCHEMBL4596382

C=COCCONC(=O)c1ccc(F)c(F)c1Nc1ncc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.49
PIM1 P11309 1/20 0.44
CAMK2B Q13554 1/20 0.44
MAP2K2 P36507 4/20 0.44
RAF1 P04049 1/20 0.42
PDGFRB P09619 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
AURKC Q9UQB9 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41

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
SCHEMBL4596340 0.87 MAP2K1 (0.64) MAP2K1PIM1CAMK2BMAP2K2RAF1
SCHEMBL14222842 0.83 MAP2K1 (0.48) MAP2K1PIM1CAMK2BMAP2K2RAF1
SCHEMBL14222840 0.81 MAP2K1 (0.44) MAP2K1PIM1CAMK2BMAP2K2RAF1
SCHEMBL4596558 0.80 MAP2K1 (0.60) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4596552 0.80 MAP2K1 (0.60) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4596561 0.80 MAP2K1 (0.60) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4862593 0.79 MAP2K1 (0.68) MAP2K1PIM1CAMK2BMAP2K2RAF1
SCHEMBL14220109 0.79 MAP2K1 (0.46) MAP2K1PIM1CAMK2BMAP2K2RAF1
SCHEMBL14222851 0.78 MAP2K1 (0.42) MAP2K1PIM1CAMK2BMAP2K2RAF1
SCHEMBL14219611 0.78 MAP2K1 (0.62) MAP2K1PIM1CAMK2BMAP2K2RAF1

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