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Sugi Predict / Compounds / SCHEMBL14918121

SCHEMBL14918121

SCHEMBL14918121

CON(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)OCc1ccc(C)nc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 16/20 0.54
▸ HDAC4 P56524 14/20 0.54
▸ HDAC1 Q13547 10/20 0.52
▸ HDAC5 Q9UQL6 4/20 0.51
▸ HDAC3 O15379 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC8 Q9BY41 5/20 0.47

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
SCHEMBL14918621 0.90 HDAC6 (0.53) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL14917846 0.90 HDAC4 (0.59) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL14918082 0.90 HDAC6 (0.52) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL14918284 0.89 HDAC4 (0.55) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL14918683 0.88 HDAC6 (0.52) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL14918558 0.88 HDAC6 (0.52) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL14917874 0.87 HDAC6 (0.50) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL14918270 0.87 HDAC6 (0.50) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL21900007 0.87 HDAC6 (0.62) HDAC6HDAC4HDAC1HDAC5HDAC3
SCHEMBL21899965 0.86 HDAC6 (0.65) HDAC6HDAC4HDAC1HDAC5HDAC3

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-2013066835-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 — — WO disclosed