SCHEMBL14220140

SCHEMBL14220140

O=C(O)c1ccc(F)c(F)c1Nc1ncc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.51
MAP2K2 P36507 2/20 0.51
DHODH Q02127 12/20 0.46
AURKA O14965 2/20 0.37
MAPK8 P45983 2/20 0.37
AURKB Q96GD4 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
CDC7 O00311 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL14220102 0.88 MAP2K1 (0.48) MAP2K1MAP2K2DHODHAURKAMAPK8
SCHEMBL14222835 0.88 MAP2K1 (0.48) MAP2K1MAP2K2DHODHAURKAMAPK8
SCHEMBL14219693 0.84 DHODH (0.41) MAP2K1MAP2K2DHODHAURKAMAPK8
SCHEMBL4595156 0.81 DHODH (0.56) MAP2K1MAP2K2DHODH
SCHEMBL14219691 0.81 DHODH (0.44) MAP2K1DHODHAURKAMAPK8AURKB
SCHEMBL14219677 0.81 DHODH (0.39) MAP2K1MAP2K2DHODHAURKAMAPK8
SCHEMBL14219621 0.80 MAP2K1 (0.48) MAP2K1MAP2K2DHODH
SCHEMBL14222838 0.80 MAP2K1 (0.57) MAP2K1MAP2K2DHODH
SCHEMBL14222837 0.79 DHODH (0.54) MAP2K1MAP2K2DHODH
SCHEMBL14219608 0.79 DHODH (0.54) MAP2K1MAP2K2DHODH

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