SCHEMBL14219677

SCHEMBL14219677

O=C(O)c1cc(Br)c(F)c(F)c1Nc1ncc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.39
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
MAP2K1 Q02750 3/20 0.33
AURKA O14965 2/20 0.33
MAPK8 P45983 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
AURKB Q96GD4 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
CDC7 O00311 1/20 0.33
ALK Q9UM73 1/20 0.33
MAP2K2 P36507 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL14219822 0.91 DHODH (0.38) DHODHKDM4EASPHKDM8MAP2K1
SCHEMBL14219693 0.88 DHODH (0.41) DHODHKDM4EASPHKDM8MAP2K1
SCHEMBL14219691 0.84 DHODH (0.44) DHODHKDM4EASPHKDM8MAP2K1
SCHEMBL14220140 0.81 MAP2K1 (0.51) DHODHKDM4EASPHKDM8MAP2K1
SCHEMBL14219814 0.81 DHODH (0.43) DHODHKDM4EMAP2K1
SCHEMBL14220139 0.80 NPC1 (0.38) DHODHMAP2K1
SCHEMBL14219820 0.80 DHODH (0.40) DHODHKDM4EASPHKDM8MAP2K1
SCHEMBL14220102 0.78 MAP2K1 (0.48) DHODHKDM4EASPHKDM8MAP2K1
SCHEMBL14220144 0.78 HTT (0.38) DHODHMAP2K1IRAK4
SCHEMBL14220106 0.78 DHODH (0.46) DHODHMAP2K1

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