SCHEMBL17520626

SCHEMBL17520626

CC1Cc2c(n(Cc3ccc(C(=O)NO)cc3)c3ccccc23)CN1C(=O)N(C)C=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 20/20 0.59
▸ HDAC1 Q13547 9/20 0.59
▸ HDAC10 Q969S8 6/20 0.59
▸ HDAC2 Q92769 4/20 0.59
▸ HDAC8 Q9BY41 4/20 0.59
▸ HDAC3 O15379 3/20 0.59
▸ NCOR2 Q9Y618 3/20 0.59
▸ HDAC4 P56524 2/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.57
▸ HDAC11 Q96DB2 1/20 0.57
▸ HDAC9 Q9UKV0 1/20 0.57
▸ HDAC5 Q9UQL6 1/20 0.57

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
SCHEMBL19166544 0.83 HDAC6 (0.57) HDAC6HDAC1HDAC10HDAC2HDAC8
SCHEMBL23718128 0.82 HDAC6 (0.69) HDAC6HDAC1HDAC10HDAC2HDAC8
SCHEMBL20634777 0.79 HDAC6 (0.58) HDAC6HDAC1HDAC10HDAC2HDAC8
SCHEMBL23815860 0.79 HDAC6 (0.58) HDAC6HDAC1HDAC10HDAC2HDAC8
SCHEMBL24012013 0.75 HDAC6 (0.68) HDAC6HDAC1HDAC10HDAC2HDAC8
SCHEMBL1052951 0.75 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC2HDAC8
SCHEMBL24011868 0.75 HDAC6 (0.57) HDAC6HDAC1HDAC10HDAC2HDAC8
SCHEMBL24011743 0.73 HDAC6 (0.58) HDAC6HDAC1HDAC10HDAC2HDAC8
Tubastatin A SCHEMBL29356061 0.73 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC2HDAC8
Tubastatin A SCHEMBL1057119 0.73 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC2HDAC8

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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