SCHEMBL14918259

SCHEMBL14918259

Cc1cc(-c2noc(C(F)(F)F)n2)ncc1NC(=O)OCc1cnc2c(c1)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.41
HDAC1 Q13547 8/20 0.41
HDAC5 Q9UQL6 6/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC4 P56524 11/20 0.40
HCAR2 Q8TDS4 2/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL14918090 0.82 HDAC6 (0.43) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918231 0.81 HDAC4 (0.42) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918572 0.80 P4HTM (0.43) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918253 0.79 HDAC6 (0.46) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918398 0.78 HDAC6 (0.54) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918804 0.75 HDAC4 (0.57) HDAC6HDAC1HDAC4CNR2
SCHEMBL14918301 0.75 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918709 0.74 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918272 0.74 HDAC6 (0.42) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918254 0.74 HDAC4 (0.53) HDAC6HDAC1HDAC5HDAC8HDAC4

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