SCHEMBL4035607

SCHEMBL4035607

CC(C)(C)OC(=O)NC(Cc1cccc(C#N)c1)c1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.50
CTSK P43235 8/20 0.50
CTSB P07858 4/20 0.50
CTSL P07711 2/20 0.49
FOLH1 Q04609 1/20 0.44
CNR1 P21554 1/20 0.42
PTGES O14684 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL4839064 0.87 CTSS (0.49) CTSSCTSKCTSBCTSL
SCHEMBL14436615 0.87 CTSS (0.49) CTSSCTSKCTSBCTSL
SCHEMBL4839068 0.87 CTSS (0.49) CTSSCTSKCTSBCTSL
SCHEMBL321049 0.85 CTSS (0.50) CTSSCTSKCTSBCTSL
SCHEMBL4968810 0.85 CTSS (0.50) CTSSCTSKCTSBCTSL
SCHEMBL321050 0.85 CTSS (0.50) CTSSCTSKCTSBCTSL
SCHEMBL4499875 0.85 CTSS (0.53) CTSSCTSKCTSBCTSLFOLH1
SCHEMBL4839075 0.85 CTSS (0.53) CTSSCTSKCTSBCTSLFOLH1
SCHEMBL4968776 0.84 CTSS (0.46) CTSSCTSKCTSBCTSL
SCHEMBL6164195 0.83 CTSS (0.51) CTSSCTSKCTSBCTSLFOLH1

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-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed