SCHEMBL6901005

SCHEMBL6901005

Cn1nnc2c(N)nc(-c3ccc(OCCC4CN(C(=O)OC(C)(C)C)C4)c(C(F)(F)F)c3)cc21

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.56
CTSK P43235 8/20 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
SCHEMBL2146887 0.89 CTSS (0.71) CTSSCTSK
SCHEMBL6898033 0.83 CTSS (0.78) CTSSCTSK
SCHEMBL2146697 0.83 CTSS (0.74) CTSSCTSK
SCHEMBL6899500 0.82 CTSS (0.58) CTSSCTSK
SCHEMBL2146880 0.80 CTSS (0.75) CTSSCTSK
SCHEMBL13644328 0.77 CTSS (0.62) CTSSCTSK
SCHEMBL2147456 0.77 CTSS (0.52) CTSSCTSK
SCHEMBL2146892 0.75 CTSS (0.81) CTSSCTSK
SCHEMBL2146553 0.74 CTSS (0.89) CTSSCTSK
SCHEMBL2154224 0.74 USP30 (0.44) 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