SCHEMBL14220102

SCHEMBL14220102

O=C(O)c1ccc(F)c(F)c1Nc1ncc(F)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.48
MAP2K2 P36507 2/20 0.48
DHODH Q02127 9/20 0.44
AURKA O14965 2/20 0.35
MAPK8 P45983 2/20 0.35
AURKB Q96GD4 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CDC7 O00311 1/20 0.34
ALK Q9UM73 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL14222837 0.89 DHODH (0.54) MAP2K1MAP2K2DHODH
SCHEMBL14220140 0.88 MAP2K1 (0.51) MAP2K1MAP2K2DHODHAURKAMAPK8
SCHEMBL14223198 0.88 MAP2K1 (0.46) MAP2K1MAP2K2DHODHKDM4E
SCHEMBL14222835 0.85 MAP2K1 (0.48) MAP2K1MAP2K2DHODHAURKAMAPK8
SCHEMBL14219822 0.84 DHODH (0.38) MAP2K1MAP2K2DHODHAURKAMAPK8
SCHEMBL14219820 0.81 DHODH (0.40) MAP2K1DHODHKDM4EASPHKDM8
SCHEMBL14219811 0.81 MAP2K1 (0.44) MAP2K1MAP2K2DHODHMAPK8KDM4E
SCHEMBL14219679 0.80 MAP2K1 (0.46) MAP2K1MAP2K2DHODH
SCHEMBL4595156 0.78 DHODH (0.56) MAP2K1MAP2K2DHODH
SCHEMBL14219677 0.78 DHODH (0.39) MAP2K1MAP2K2DHODHAURKAMAPK8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed