SCHEMBL7657491

SCHEMBL7657491

N#CCNC(=O)C(CS(=O)(=O)Cc1c(F)cccc1[N+](=O)[O-])NC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 12/20 0.59
CTSL P07711 12/20 0.59
CTSS P25774 11/20 0.59
CTSK P43235 6/20 0.48
CTSV O60911 1/20 0.45

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
SCHEMBL7657500 1.00 CTSB (0.59) CTSBCTSLCTSSCTSKCTSV
SCHEMBL6737538 0.86 CTSB (0.64) CTSBCTSLCTSSCTSKCTSV
SCHEMBL6737537 0.86 CTSB (0.64) CTSBCTSLCTSSCTSKCTSV
SCHEMBL7660389 0.84 CTSL (0.67) CTSBCTSLCTSSCTSKCTSV
SCHEMBL7660394 0.84 CTSL (0.67) CTSBCTSLCTSSCTSKCTSV
SCHEMBL6740630 0.84 CTSL (0.69) CTSBCTSLCTSSCTSK
SCHEMBL6740626 0.84 CTSL (0.69) CTSBCTSLCTSSCTSK
SCHEMBL7663176 0.84 CTSL (0.61) CTSBCTSLCTSSCTSKCTSV
SCHEMBL7663178 0.84 CTSL (0.61) CTSBCTSLCTSSCTSKCTSV
SCHEMBL7663280 0.82 CTSL (0.67) CTSBCTSLCTSSCTSKCTSV

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