SCHEMBL14918758

SCHEMBL14918758

OCC(C=Cc1ccccc1)N1CCN(c2ncc(-c3noc(C(F)(F)F)n3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.58
HDAC6 Q9UBN7 18/20 0.58
HDAC1 Q13547 16/20 0.58
HDAC8 Q9BY41 14/20 0.58
HDAC3 O15379 13/20 0.58
HDAC7 Q8WUI4 13/20 0.58
HDAC2 Q92769 13/20 0.58
HDAC10 Q969S8 13/20 0.58
HDAC11 Q96DB2 13/20 0.58
HDAC9 Q9UKV0 13/20 0.58
HDAC5 Q9UQL6 13/20 0.58

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
SCHEMBL14918755 1.00 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918798 0.93 HDAC6 (0.60) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918801 0.93 HDAC6 (0.60) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918579 0.88 HDAC6 (0.62) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918576 0.88 HDAC6 (0.62) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918266 0.87 HDAC6 (0.62) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918264 0.87 HDAC6 (0.62) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918014 0.83 HDAC4 (0.64) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918017 0.83 HDAC4 (0.64) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14917793 0.82 HDAC6 (0.62) HDAC4HDAC6HDAC1HDAC8HDAC3

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