SCHEMBL4590327

SCHEMBL4590327

CC(C)(C)C1=NCCc2ccc(C#Cc3cc(-c4nn(CC(O)CN5CCCCC5)c5c4CN(S(C)(=O)=O)CC5)ccc3Cl)cc21

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.75

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
SCHEMBL4573577 0.86 CTSS (1.00) CTSS
SCHEMBL4573674 0.85 CTSS (0.98) CTSS
SCHEMBL5123769 0.84 CTSS (0.78) CTSS
SCHEMBL4574430 0.83 CTSS (0.78) CTSS
SCHEMBL4573938 0.81 CTSS (0.89) CTSS
SCHEMBL5130779 0.81 CTSS (1.00) CTSS
SCHEMBL4574870 0.80 CTSS (0.86) CTSS
SCHEMBL4590368 0.80 CTSS (0.63) CTSS
SCHEMBL4574415 0.80 CTSS (1.00) CTSS
SCHEMBL4586288 0.80 CTSS (1.00) 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