SCHEMBL6900738

SCHEMBL6900738

CNc1cc(-c2ccc(OCCCOS(C)(=O)=O)c(C(F)(F)F)c2)nc(C#N)c1N

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.48
CTSK P43235 17/20 0.48

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
SCHEMBL2146750 0.87 CTSS (0.62) CTSSCTSK
SCHEMBL6899752 0.86 CTSS (0.53) CTSSCTSK
SCHEMBL13584133 0.86 CTSS (0.61) CTSSCTSK
SCHEMBL6897925 0.86 CTSS (0.52) CTSSCTSK
SCHEMBL2146385 0.83 CTSS (0.52) CTSSCTSK
SCHEMBL6900519 0.83 CTSS (0.49) CTSSCTSK
SCHEMBL2146936 0.83 CTSS (0.49) CTSSCTSK
SCHEMBL2146696 0.81 CTSS (0.47) CTSSCTSK
SCHEMBL2146633 0.80 CTSS (0.46) CTSSCTSK
SCHEMBL2146369 0.80 CTSS (0.64) CTSSCTSK

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-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 WO disclosed