SCHEMBL14918283

SCHEMBL14918283

O=C(O)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.58
HDAC6 Q9UBN7 17/20 0.57
HDAC8 Q9BY41 13/20 0.57
HDAC2 Q92769 1/20 0.54
HDAC1 Q13547 6/20 0.52
HDAC5 Q9UQL6 2/20 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
SCHEMBL29877917 0.88 HDAC6 (0.50) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL29877524 0.87 HDAC6 (0.51) HDAC4HDAC6HDAC8HDAC1HDAC5
SCHEMBL14932822 0.86 HDAC4 (0.70) HDAC4HDAC6HDAC8HDAC2HDAC1
SCHEMBL14918456 0.85 HDAC4 (0.55) HDAC4HDAC6HDAC8HDAC2HDAC1
Trifluoroacetic Acid SCHEMBL14918262 0.82 HDAC6 (0.53) HDAC6HDAC8HDAC1HDAC5
SCHEMBL14918519 0.82 HDAC6 (0.58) HDAC4HDAC6HDAC8HDAC1HDAC5
SCHEMBL14918111 0.81 HDAC6 (0.63) HDAC6HDAC8HDAC1HDAC5
SCHEMBL14918363 0.81 HDAC6 (0.57) HDAC4HDAC6HDAC8HDAC2HDAC1
Trifluoroacetic Acid SCHEMBL31675215 0.81 HDAC6 (0.51) HDAC4HDAC6HDAC8HDAC1HDAC5
SCHEMBL19745392 0.80 HDAC6 (0.80) HDAC6HDAC8HDAC1HDAC5

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