SCHEMBL4574891

SCHEMBL4574891

CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCNC4CCN(C(=O)O)CC4)c3)nn2CCCN2CCCCC2)C1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.74

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
SCHEMBL4526474 0.93 CTSS (0.81) CTSS
SCHEMBL4528791 0.92 CTSS (0.70) CTSS
SCHEMBL4574180 0.88 CTSS (0.82) CTSS
SCHEMBL4517285 0.87 CTSS (0.82) CTSS
SCHEMBL4526297 0.86 CTSS (1.00) CTSS
SCHEMBL4529165 0.86 CTSS (1.00) CTSS
SCHEMBL4522533 0.86 CTSS (1.00) CTSS
SCHEMBL4514137 0.86 CTSS (0.86) CTSS
SCHEMBL4537692 0.86 CTSS (0.88) CTSS
SCHEMBL4526412 0.85 CTSS (0.98) 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-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed