SCHEMBL6528952

SCHEMBL6528952

O=C(NO)c1ccc(-c2ccn(CCOCCOc3ccccc3)n2)s1

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.88
HDAC3 O15379 14/20 0.88
HDAC4 P56524 14/20 0.88
HDAC7 Q8WUI4 14/20 0.88
HDAC2 Q92769 14/20 0.88
HDAC10 Q969S8 14/20 0.88
HDAC11 Q96DB2 14/20 0.88
HDAC8 Q9BY41 14/20 0.88
HDAC6 Q9UBN7 14/20 0.88
HDAC9 Q9UKV0 14/20 0.88
HDAC5 Q9UQL6 14/20 0.88

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
SCHEMBL5903743 0.90 HDAC1 (0.89) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903808 0.88 HDAC1 (0.88) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904085 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6529686 0.81 HDAC1 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904041 0.79 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903698 0.79 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903812 0.77 HDAC1 (0.81) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903815 0.77 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904044 0.76 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904037 0.76 HDAC1 (1.00) 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 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 disclosed
WO-2005014588-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-02-17 WO disclosed