SCHEMBL4840035

SCHEMBL4840035

CCCCCc1ccc(CC(N)C(=O)N2Cc3ccccc3C2)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 18/20 0.67
HDAC1 Q13547 3/20 0.67
HDAC3 O15379 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 2/20 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
SCHEMBL4772725 0.81 HDAC8 (0.78) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4779058 0.81 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL29868446 0.81 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4779066 0.81 HDAC8 (1.00) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4779271 0.81 HDAC8 (0.70) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4772321 0.80 HDAC8 (0.80) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4780016 0.79 HDAC8 (0.78) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4775526 0.78 HDAC8 (0.73) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4770916 0.78 HDAC8 (0.73) HDAC8HDAC1HDAC3HDAC2HDAC6
SCHEMBL4776750 0.78 HDAC8 (0.76) HDAC8HDAC1HDAC3HDAC2HDAC6

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
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO disclosed