SCHEMBL4574589

SCHEMBL4574589

CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(NCC#N)cc4)c3)nn2CCCN2CCOCC2)C1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.82

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
SCHEMBL4573501 0.91 CTSS (0.85) CTSS
SCHEMBL4573242 0.90 CTSS (1.00) CTSS
SCHEMBL4573892 0.90 CTSS (0.88) CTSS
SCHEMBL4574432 0.90 CTSS (1.00) CTSS
SCHEMBL4573441 0.90 CTSS (0.90) CTSS
SCHEMBL4573585 0.89 CTSS (0.82) CTSS
SCHEMBL4574191 0.89 CTSS (1.00) CTSS
SCHEMBL4574597 0.89 CTSS (0.85) CTSS
SCHEMBL4573258 0.89 CTSS (1.00) CTSS
SCHEMBL4573723 0.89 CTSS (0.89) CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed