SCHEMBL17520669

SCHEMBL17520669

CN1CC(=O)N2Cc3c(c4ccccc4n3Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@H]2C1=O

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 17/20 0.75
▸ HDAC1 Q13547 4/20 0.62
▸ HDAC2 Q92769 3/20 0.62
▸ HDAC10 Q969S8 3/20 0.62
▸ HDAC8 Q9BY41 3/20 0.62
▸ HDAC4 P56524 2/20 0.62
▸ ENPP2 Q13822 2/20 0.52
▸ HDAC3 O15379 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL19161146 1.00 HDAC6 (0.75) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL19139005 1.00 HDAC6 (0.75) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL19168055 0.92 HDAC6 (0.64) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL19161681 0.90 HDAC6 (0.77) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL17520635 0.90 HDAC6 (0.76) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL19138992 0.89 HDAC6 (0.75) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL19161934 0.89 HDAC6 (0.75) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL19161255 0.89 HDAC6 (0.78) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL19138956 0.88 HDAC6 (0.82) HDAC6HDAC1HDAC2HDAC10HDAC8
SCHEMBL19161261 0.88 HDAC6 (0.82) HDAC6HDAC1HDAC2HDAC10HDAC8

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-2016020369-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2016-02-11 — — WO disclosed
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