SCHEMBL14918593

SCHEMBL14918593

Cc1c(C(=O)NCCOc2ccc(-c3noc(C(F)(F)F)n3)cc2)sc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.55
HDAC6 Q9UBN7 13/20 0.55
HDAC1 Q13547 4/20 0.49
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
ICAM1 P05362 1/20 0.45
SELE P16581 1/20 0.45

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
SCHEMBL14918393 0.82 HDAC4 (0.56) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14917713 0.82 HDAC4 (0.71) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918164 0.81 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14917968 0.80 HDAC4 (0.69) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918181 0.80 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918214 0.78 HDAC4 (0.60) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14917748 0.78 HDAC4 (0.56) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14917967 0.78 HDAC4 (0.59) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918169 0.78 HDAC4 (0.64) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14917894 0.77 HDAC4 (0.55) HDAC4HDAC6HDAC1HDAC2HDAC8

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