SCHEMBL4590312

SCHEMBL4590312

CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(Cl)cc4)c3)nn2C[C@@H](O)C[N+]2(C(=O)[O-])CCC(C3CCNCC3)CC2)C1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.77

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
SCHEMBL4590094 0.91 CTSS (0.81) CTSS
SCHEMBL4589901 0.90 CTSS (0.62) CTSS
SCHEMBL4589749 0.89 CTSS (0.61) CTSS
SCHEMBL4590155 0.89 CTSS (0.61) CTSS
SCHEMBL4573672 0.87 CTSS (1.00) CTSS
SCHEMBL4574415 0.84 CTSS (1.00) CTSS
SCHEMBL4573674 0.81 CTSS (0.98) CTSS
SCHEMBL5130779 0.81 CTSS (1.00) CTSS
SCHEMBL4573587 0.80 CTSS (1.00) CTSS
SCHEMBL4573577 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 disclosed