SCHEMBL4041626

SCHEMBL4041626

CC(C)(C)CC(NC(=O)Oc1csc2ccccc12)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
ELANE P08246 1/20 0.33
KMT2A Q03164 1/20 0.32
GAA P10253 2/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4044148 0.90 CTSK (0.42) CTSKCTSLCTSS
SCHEMBL4048674 0.90 CTSS (0.37) CTSKCTSLCTSS
SCHEMBL4046569 0.89 CTSK (0.35) CTSKCTSLCTSSELANE
SCHEMBL4045645 0.88 SMYD3 (0.34) CTSKCTSLCTSSKMT2ATSHR
SCHEMBL4045469 0.86 ELANE (0.37) CTSKCTSLCTSSELANEKMT2A
SCHEMBL4044151 0.85 CTSK (0.43) CTSKCTSLCTSSELANEGAA
SCHEMBL4052140 0.85 HSD17B10 (0.36) CTSKKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL4049692 0.83 CTSK (0.37) CTSKCTSLCTSSELANEKMT2A
SCHEMBL4051458 0.83 CTSK (0.36) CTSKELANE
SCHEMBL4046591 0.83 CTSK (0.35) CTSKKMT2AUSP2

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed