SCHEMBL7930093

SCHEMBL7930093

C=C(Nc1cc(-c2cccs2)ccc1N)c1ccc(/C=C/C(=O)NCCc2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.54
HDAC2 Q92769 12/20 0.54
HDAC3 O15379 8/20 0.54
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
GSK3B P49841 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
SCHEMBL2136117 0.92 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2136124 0.92 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7939955 0.83 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2462440 0.82 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2137846 0.79 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2137851 0.79 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7938250 0.76 RAB9A (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4259719 0.75 HDAC1 (0.62) HDAC1HDAC2HDAC3GSK3B
SCHEMBL4259714 0.75 HDAC1 (0.62) HDAC1HDAC2HDAC3GSK3B
SCHEMBL4579647 0.73 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7

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-2010065117-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-06-10 WO disclosed