SCHEMBL14918014

SCHEMBL14918014

CNC(=O)C(/C=C/c1ccccc1)N1CCN(c2ncc(-c3noc(C(F)(F)F)n3)cn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 18/20 0.64
HDAC6 Q9UBN7 17/20 0.64
HDAC1 Q13547 15/20 0.64
HDAC8 Q9BY41 12/20 0.64
HDAC5 Q9UQL6 11/20 0.64
HDAC3 O15379 10/20 0.64
HDAC7 Q8WUI4 10/20 0.64
HDAC2 Q92769 10/20 0.64
HDAC10 Q969S8 10/20 0.64
HDAC11 Q96DB2 10/20 0.64
HDAC9 Q9UKV0 10/20 0.64

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
SCHEMBL14918017 1.00 HDAC4 (0.64) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918274 0.85 HDAC6 (0.65) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918275 0.85 HDAC6 (0.65) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918758 0.83 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918755 0.83 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918266 0.79 HDAC6 (0.62) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918264 0.79 HDAC6 (0.62) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918579 0.78 HDAC6 (0.62) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918576 0.78 HDAC6 (0.62) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL12295761 0.78 HDAC3 (1.00) HDAC4HDAC6HDAC1HDAC8HDAC5

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-2013066831-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed