SCHEMBL12283183

SCHEMBL12283183

CN1CCn2cc(C(=O)NO)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 19/20 0.57
▸ HDAC8 Q9BY41 6/20 0.57
▸ HDAC2 Q92769 3/20 0.57
▸ HDAC1 Q13547 3/20 0.57
▸ HDAC3 O15379 2/20 0.57
▸ HDAC10 Q969S8 2/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.57
▸ HDAC11 Q96DB2 1/20 0.57
▸ HDAC5 Q9UQL6 1/20 0.57
▸ NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL2522000 0.79 HDAC6 (0.50) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL12211171 0.78 HDAC6 (0.54) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL12286460 0.76 HDAC6 (0.57) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL2519323 0.75 HDAC6 (0.53) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL16852214 0.75 HDAC6 (0.50) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL12210526 0.74 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL12210550 0.73 HDAC6 (0.64) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL12210615 0.73 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL12210558 0.73 HDAC6 (0.60) HDAC6HDAC8HDAC2HDAC1HDAC3
SCHEMBL12210535 0.73 HDAC6 (0.64) HDAC6HDAC8HDAC2HDAC1HDAC3

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-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
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