SCHEMBL4045942

SCHEMBL4045942

CCCC(NC(=O)Oc1cccs1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.41
CTSL P07711 3/20 0.36
CTSS P25774 3/20 0.36
PREP P48147 2/20 0.36
FAP Q12884 2/20 0.36
PDE5A O76074 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE3A Q14432 1/20 0.34
TGM2 P21980 1/20 0.33
SIRT5 Q9NXA8 1/20 0.32
HSPA5 P11021 1/20 0.31
CTNNB1 P35222 1/20 0.31
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
ADORA2A P29274 2/20 0.30
ADORA2B P29275 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4050120 0.92 CTSK (0.51) CTSKCTSLCTSS
SCHEMBL4040451 0.89 CTSK (0.41) CTSKCTSLCTSSPREPFAP
SCHEMBL4041899 0.89 CTSK (0.39) CTSKCTSLCTSSPREPFAP
SCHEMBL4045685 0.88 PREP (0.34) CTSKPREPFAP
SCHEMBL4049326 0.87 CTSK (0.42) CTSKCTSLCTSSPREPFAP
SCHEMBL4043756 0.87 CTSK (0.40) CTSKCTSLCTSSPREPFAP
SCHEMBL4045843 0.87 CTSK (0.43) CTSKCTSLCTSSPREPFAP
SCHEMBL4043597 0.86 CTSK (0.41) CTSKCTSLCTSSPREPFAP
SCHEMBL4044465 0.86 CTSK (0.43) CTSKCTSLCTSSPREPFAP
SCHEMBL4047847 0.85 CTSK (0.38) CTSKCTSLCTSS

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