SCHEMBL14918266

SCHEMBL14918266

CN1CCN(CC(C=Cc2ccccc2)N2CCN(c3ncc(-c4noc(C(F)(F)F)n4)cn3)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.62
HDAC4 P56524 18/20 0.62
HDAC1 Q13547 17/20 0.62
HDAC8 Q9BY41 15/20 0.62
HDAC2 Q92769 13/20 0.62
HDAC3 O15379 12/20 0.62
HDAC7 Q8WUI4 12/20 0.62
HDAC10 Q969S8 12/20 0.62
HDAC11 Q96DB2 12/20 0.62
HDAC9 Q9UKV0 12/20 0.62
HDAC5 Q9UQL6 12/20 0.62

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
SCHEMBL14918264 1.00 HDAC6 (0.62) HDAC6HDAC4HDAC1HDAC8HDAC2
SCHEMBL14918576 0.92 HDAC6 (0.62) HDAC6HDAC4HDAC1HDAC8HDAC2
SCHEMBL14918579 0.92 HDAC6 (0.62) HDAC6HDAC4HDAC1HDAC8HDAC2
SCHEMBL14918755 0.87 HDAC4 (0.58) HDAC6HDAC4HDAC1HDAC8HDAC2
SCHEMBL14918758 0.87 HDAC4 (0.58) HDAC6HDAC4HDAC1HDAC8HDAC2
SCHEMBL14918798 0.80 HDAC6 (0.60) HDAC6HDAC4HDAC1HDAC8HDAC2
SCHEMBL14918801 0.80 HDAC6 (0.60) HDAC6HDAC4HDAC1HDAC8HDAC2
SCHEMBL14918014 0.79 HDAC4 (0.64) HDAC6HDAC4HDAC1HDAC8HDAC2
SCHEMBL14918017 0.79 HDAC4 (0.64) HDAC6HDAC4HDAC1HDAC8HDAC2
SCHEMBL12328099 0.77 HDAC3 (1.00) HDAC6HDAC4HDAC1HDAC8HDAC2

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