SCHEMBL6509983

SCHEMBL6509983

CN(CCOc1ccccc1)Cc1ccc(-c2ccc(C(=O)NO)s2)nc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.76
CYP3A4 P08684 1/20 0.58
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL6510292 0.89 HDAC1 (0.59) HDAC1CYP3A4HDAC3HDAC4HDAC7
SCHEMBL6509962 0.88 HDAC1 (0.65) HDAC1CYP3A4HDAC3HDAC4HDAC7
SCHEMBL6513829 0.86 HDAC1 (0.65) HDAC1CYP3A4HDAC3HDAC4HDAC7
SCHEMBL6512133 0.83 HDAC1 (0.61) HDAC1CYP3A4HDAC3HDAC4HDAC7
SCHEMBL6507596 0.81 HDAC1 (1.00) HDAC1CYP3A4
SCHEMBL6531527 0.80 HDAC1 (0.50) HDAC1CYP3A4HDAC3HDAC4HDAC7
SCHEMBL6509841 0.79 HDAC1 (0.46) HDAC1
SCHEMBL6507970 0.79 HDAC1 (0.52) HDAC1CYP3A4
SCHEMBL6511431 0.79 HDAC1 (0.46) HDAC1
SCHEMBL6515011 0.78 HDAC1 (0.52) HDAC1CYP3A4HDAC3HDAC4HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005014588-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-02-17 WO claimed
WO-2005014588-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-02-17 WO disclosed