SCHEMBL14565734

SCHEMBL14565734

O=CNC1CCCN(S(=O)(=O)c2ccccn2)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.49
CTSL P07711 12/20 0.49
CTSS P25774 8/20 0.49
CTSB P07858 6/20 0.49
CTSV O60911 1/20 0.47
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38

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
SCHEMBL14565729 0.82 PKM (0.46) PKM
SCHEMBL5105578 0.81 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105546 0.80 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5105583 0.80 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL8336654 0.80 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4768241 0.80 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14565745 0.80 CCND1 (0.35) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14565738 0.79 KMT2A (0.48)
SCHEMBL7429565 0.79 CTSK (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7588951 0.79 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV

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-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US disclosed