SCHEMBL8264133

SCHEMBL8264133

Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2cc(N)ccc21

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.71
HDAC2 Q92769 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
NCOR1 O75376 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL3535952 0.91 HDAC1 (0.82) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3535280 0.90 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3534742 0.90 HDAC1 (0.69) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL3534226 0.88 HDAC1 (0.67) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL3536813 0.88 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3537402 0.88 HDAC1 (0.66) HDAC1HDAC8HDAC6
SCHEMBL3538578 0.86 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3532266 0.86 HDAC1 (0.69) HDAC1HDAC2HDAC11HDAC8HDAC6
SCHEMBL3535258 0.84 HDAC1 (0.64) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL3535597 0.84 HDAC1 (0.67) HDAC1HDAC2HDAC11HDAC8HDAC6

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-2006066133-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO disclosed