SCHEMBL14918006

SCHEMBL14918006

O=C(NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccc1-n1cccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 18/20 0.56
HDAC6 Q9UBN7 15/20 0.56
HDAC1 Q13547 6/20 0.52
HDAC8 Q9BY41 4/20 0.48
HDAC3 O15379 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
NCOR2 Q9Y618 1/20 0.48
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL14918164 0.84 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14917713 0.84 HDAC4 (0.71) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14917712 0.82 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918214 0.81 HDAC4 (0.60) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918472 0.80 HDAC4 (0.61) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14917748 0.80 HDAC4 (0.56) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918169 0.80 HDAC4 (0.64) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918748 0.79 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918141 0.78 MAPT (0.61) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918181 0.78 HDAC4 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066833-A1 COMPOUNDS AND METHODS TO INHIBIT HISTONE DEACETYLASE (HDAC) ENZYMES GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066833-A1 COMPOUNDS AND METHODS TO INHIBIT HISTONE DEACETYLASE (HDAC) ENZYMES GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed