SCHEMBL14918183

SCHEMBL14918183

O=C(NCCOc1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 16/20 0.62
▸ HDAC6 Q9UBN7 18/20 0.61
▸ HDAC1 Q13547 7/20 0.57
▸ HDAC8 Q9BY41 7/20 0.57
▸ HDAC5 Q9UQL6 5/20 0.57
▸ HDAC2 Q92769 4/20 0.57
▸ HDAC3 O15379 3/20 0.57
▸ HDAC7 Q8WUI4 3/20 0.57
▸ HDAC9 Q9UKV0 1/20 0.52
▸ NCOR2 Q9Y618 1/20 0.52

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
SCHEMBL14917704 0.85 HDAC4 (0.65) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14917705 0.85 HDAC4 (0.65) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918645 0.85 HDAC4 (0.59) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14917953 0.81 HDAC4 (0.49) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL19042511 0.80 HDAC4 (0.71) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL19042597 0.80 HDAC4 (0.71) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14917713 0.80 HDAC4 (0.71) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14917961 0.79 HDAC4 (0.60) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14917716 0.79 HDAC4 (0.56) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918046 0.78 HDAC4 (0.60) HDAC4HDAC6HDAC1HDAC8HDAC5

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
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