SCHEMBL8409079

SCHEMBL8409079

COC(=O)CCCCC(=O)Nc1cccc(-c2cccc(NC(=N)N)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.54
HDAC1 Q13547 8/20 0.54
HDAC3 O15379 6/20 0.53
HDAC2 Q92769 6/20 0.53
HDAC10 Q969S8 6/20 0.53
HDAC11 Q96DB2 6/20 0.53
HDAC8 Q9BY41 6/20 0.53
HDAC4 P56524 5/20 0.53
HDAC7 Q8WUI4 5/20 0.53
HDAC9 Q9UKV0 5/20 0.53
HDAC5 Q9UQL6 5/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
PTPRC P08575 3/20 0.51
PTPN13 Q12923 1/20 0.51
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
EPHX2 P34913 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL8409081 0.87 LMNA (0.46) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL8409096 0.86 HDAC6 (0.61) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL4581162 0.86 HDAC6 (0.73) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL8407707 0.86 HDAC6 (0.61) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL3610869 0.82 MAPT (0.47) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL31635250 0.82 PTPRC (0.65) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL31415856 0.80 HDAC8 (0.72) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL15757244 0.78 MTNR1B (0.65) MEN1KMT2AL3MBTL1
SCHEMBL31390528 0.77 HDAC8 (0.56) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL541048 0.76 LMNA (0.68) HDAC6HDAC1HDAC3HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed