SCHEMBL4779233

SCHEMBL4779233

CC(=O)C(c1ccc(Br)s1)N1Cc2cncnc2C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.34
HDAC1 Q13547 1/20 0.32
PDE2A O00408 1/20 0.30

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
SCHEMBL4779334 0.77
SCHEMBL8217044 0.68 NAMPT (0.37) NAMPTHDAC1PDE2A
SCHEMBL4779331 0.67 HDAC8 (0.39) NAMPTHDAC1
SCHEMBL4910552 0.67 HDAC8 (0.39) NAMPTHDAC1
SCHEMBL22098106 0.65 NOTUM (0.47) NAMPTHDAC1PDE2A
SCHEMBL17106486 0.62 NAMPT (0.46) NAMPTHDAC1PDE2A
SCHEMBL25639012 0.62 NAMPT (0.48) NAMPTHDAC1PDE2A
SCHEMBL30838602 0.62 HDAC1 (0.47) NAMPTHDAC1PDE2A
SCHEMBL1721216 0.60 HDAC1 (0.46) NAMPTHDAC1PDE2A
SCHEMBL29379757 0.60 HDAC1 (0.46) NAMPTHDAC1PDE2A

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