SCHEMBL8407707

SCHEMBL8407707

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.61
HDAC1 Q13547 10/20 0.61
HDAC3 O15379 8/20 0.60
HDAC4 P56524 7/20 0.60
HDAC7 Q8WUI4 7/20 0.60
HDAC2 Q92769 7/20 0.60
HDAC10 Q969S8 7/20 0.60
HDAC11 Q96DB2 7/20 0.60
HDAC8 Q9BY41 7/20 0.60
HDAC9 Q9UKV0 7/20 0.60
HDAC5 Q9UQL6 7/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL1067946 0.86 HDAC6 (0.81) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8409079 0.86 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8407713 0.86 ITGB3 (0.54) HDAC6HDAC1HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL8410796 0.84 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL3602744 0.81 MEN1 (0.46) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL21665206 0.79 MEN1 (0.84) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL6037923 0.79 HDAC6 (0.74) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL3603149 0.78 MEN1 (0.48) HDAC6HDAC1MEN1KMT2AL3MBTL1
SCHEMBL288541 0.78 ITGB3 (0.61) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5460436 0.78 HDAC6 (0.77) HDAC6HDAC1HDAC3HDAC4HDAC7

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 5 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
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed