SCHEMBL7682674

SCHEMBL7682674

CN(C#N)C(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)NC(=O)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.46
CTSS P25774 6/20 0.46
CTSL P07711 5/20 0.46
CTSK P43235 3/20 0.46
CTSF Q9UBX1 1/20 0.46
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6947429 0.96 CTSB (0.43) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6741608 0.94 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL1558021 0.94 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL7658551 0.94 CTSL (0.52) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6061943 0.93 CTSB (0.48) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6062326 0.92 CTSB (0.45) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6062502 0.92 CTSB (0.45) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6063237 0.91 CTSB (0.44) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6063030 0.90 CTSB (0.45) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6061706 0.89 CTSB (0.43) CTSBCTSSCTSLCTSKCTSF

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
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US disclosed