SCHEMBL6897888

SCHEMBL6897888

CNc1cc(-c2ccc(OCCC3CCN(CCO)CC3)c(C(F)(F)F)c2)nc(C#N)c1N=N

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.57
CTSK P43235 10/20 0.56

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
SCHEMBL6900950 0.89 CTSS (0.54) CTSSCTSK
SCHEMBL6900215 0.89 CTSS (0.60) CTSSCTSK
SCHEMBL6900955 0.85 CTSS (0.59) CTSSCTSK
SCHEMBL6901049 0.85 CTSS (0.52) CTSSCTSK
SCHEMBL6899759 0.84 CTSS (0.54) CTSSCTSK
SCHEMBL6900740 0.84 CTSS (0.71) CTSSCTSK
SCHEMBL6899456 0.83 CTSS (0.55) CTSSCTSK
SCHEMBL6897688 0.83 CTSS (0.52) CTSSCTSK
SCHEMBL6901062 0.83 CTSS (0.56) CTSSCTSK
SCHEMBL6900375 0.83 CTSS (0.58) 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