SCHEMBL14918402

SCHEMBL14918402

CN(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)OCc1cnc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.60
HDAC1 Q13547 11/20 0.60
HDAC4 P56524 10/20 0.60
HDAC5 Q9UQL6 4/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC3 O15379 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 8/20 0.50
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL14918385 0.90 HDAC6 (0.57) HDAC6HDAC1HDAC4HDAC5HDAC7
SCHEMBL14918810 0.90 HDAC6 (0.59) HDAC6HDAC1HDAC4HDAC5HDAC7
SCHEMBL14918075 0.86 HDAC4 (0.63) HDAC6HDAC1HDAC4HDAC5HDAC7
SCHEMBL14917846 0.85 HDAC4 (0.59) HDAC6HDAC1HDAC4HDAC5HDAC7
SCHEMBL14917886 0.85 HDAC4 (0.58) HDAC6HDAC1HDAC4HDAC5HDAC7
SCHEMBL14918720 0.84 HDAC4 (0.57) HDAC6HDAC1HDAC4HDAC5HDAC7
SCHEMBL14918631 0.84 HDAC4 (0.57) HDAC6HDAC1HDAC4HDAC5HDAC7
SCHEMBL14918254 0.84 HDAC4 (0.53) HDAC6HDAC1HDAC4HDAC5HDAC7
SCHEMBL14918314 0.83 HDAC4 (0.56) HDAC6HDAC1HDAC4HDAC5HDAC7
SCHEMBL14918482 0.82 HDAC4 (0.55) HDAC6HDAC1HDAC4HDAC5HDAC7

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