SCHEMBL14918274

SCHEMBL14918274

O=C(C(/C=C/c1ccccc1)N1CCN(c2ncc(-c3noc(C(F)(F)F)n3)cn2)CC1)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.65
HDAC4 P56524 13/20 0.65
HDAC1 Q13547 13/20 0.65
HDAC8 Q9BY41 13/20 0.65
HDAC5 Q9UQL6 12/20 0.65
HDAC3 O15379 8/20 0.65
HDAC7 Q8WUI4 8/20 0.65
HDAC2 Q92769 8/20 0.65
HDAC10 Q969S8 7/20 0.65
HDAC11 Q96DB2 7/20 0.65
HDAC9 Q9UKV0 7/20 0.65

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
SCHEMBL14918275 1.00 HDAC6 (0.65) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14918014 0.85 HDAC4 (0.64) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14918017 0.85 HDAC4 (0.64) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14918579 0.84 HDAC6 (0.62) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14918576 0.84 HDAC6 (0.62) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14918755 0.81 HDAC4 (0.58) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14918758 0.81 HDAC4 (0.58) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL8275406 0.79 HDAC3 (1.00) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14918477 0.76 HDAC4 (0.70) HDAC6HDAC4HDAC8HDAC2
SCHEMBL14918266 0.76 HDAC6 (0.62) HDAC6HDAC4HDAC1HDAC8HDAC5

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