SCHEMBL3534458

SCHEMBL3534458

CCN1CCC[C@@H](n2c(=O)n(Cc3ccc(C(=O)Nc4ccccc4N)cc3)c3ccccc32)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.56
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3534459 1.00 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3536140 0.90 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3536139 0.90 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3540140 0.87 HDAC1 (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3538371 0.82 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3538368 0.82 HDAC1 (0.53) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3534216 0.82 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24030778 0.79 HDAC6 (0.56) HDAC1HDAC2HDAC10HDAC11HDAC8
SCHEMBL3539200 0.77 HDAC1 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3535952 0.76 HDAC1 (0.82) HDAC1HDAC3HDAC4HDAC7HDAC2

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
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US claimed