SCHEMBL6919178

SCHEMBL6919178

CC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ncc(C(=O)NO)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.52
HDAC6 Q9UBN7 10/20 0.52
HDAC1 Q13547 8/20 0.52
HDAC2 Q92769 8/20 0.52
MMP7 P09237 3/20 0.48
MMP9 P14780 2/20 0.48
MMP1 P03956 2/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP13 P45452 1/20 0.48
MMP10 P09238 1/20 0.47
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC11 Q96DB2 2/20 0.43
EEF2K O00418 1/20 0.42
ALKBH2 Q6NS38 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
ALKBH3 Q96Q83 1/20 0.42

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
SCHEMBL2412670 0.83 MMP7 (0.52) HDAC3HDAC6HDAC1MMP7MMP9
SCHEMBL2413093 0.83 MMP7 (0.52) HDAC3HDAC6HDAC1MMP7MMP9
SCHEMBL2406492 0.78 EEF2K (0.49) HDAC3HDAC6MMP7MMP9MMP1
SCHEMBL2409731 0.77 HDAC8 (0.47) HDAC3HDAC6HDAC1MMP7MMP9
SCHEMBL2409311 0.77 MMP7 (0.54) HDAC3HDAC6HDAC1MMP7MMP9
SCHEMBL12320083 0.76 MMP7 (0.48) HDAC3HDAC6MMP7MMP9MMP1
SCHEMBL6919174 0.76 ALKBH2 (0.49) HDAC3HDAC6HDAC1HDAC2MMP7
SCHEMBL2406751 0.75 MMP7 (0.49) HDAC3HDAC6HDAC1HDAC2MMP7
SCHEMBL15280035 0.73 MMP7 (0.45) MMP7MMP9MMP1MMP2MMP3
SCHEMBL2405981 0.73 MMP1 (0.45) HDAC3HDAC6HDAC1HDAC2MMP7

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
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed