SCHEMBL14918804

SCHEMBL14918804

Cc1cc(-c2noc(C(F)(F)F)n2)ncc1NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 18/20 0.57
HDAC6 Q9UBN7 7/20 0.57
HDAC1 Q13547 2/20 0.45
CNR2 P34972 2/20 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
SCHEMBL14918180 0.79 HDAC4 (0.58) HDAC4HDAC6HDAC1
SCHEMBL14917909 0.79 HDAC4 (0.79) HDAC4HDAC6HDAC1
SCHEMBL14918839 0.78 HDAC4 (0.62) HDAC4HDAC6HDAC1
SCHEMBL14918762 0.78 HDAC4 (0.50) HDAC4HDAC6HDAC1
SCHEMBL14918231 0.77 HDAC4 (0.42) HDAC4HDAC6HDAC1CNR2
SCHEMBL14918090 0.77 HDAC6 (0.43) HDAC4HDAC6HDAC1
SCHEMBL14918565 0.76 HDAC4 (0.51) HDAC4HDAC6HDAC1
SCHEMBL14918259 0.75 HDAC6 (0.41) HDAC4HDAC6HDAC1CNR2
SCHEMBL14918272 0.75 HDAC6 (0.42) HDAC4HDAC6HDAC1
SCHEMBL14918572 0.75 P4HTM (0.43) HDAC4HDAC6HDAC1CNR2

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-2013066835-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed