SCHEMBL4050878

SCHEMBL4050878

Cc1c(OC(=O)NC(Cc2cccs2)C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)oc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.38
CTSS P25774 3/20 0.35
CTSL P07711 2/20 0.35
USP30 Q70CQ3 1/20 0.34
CNR2 P34972 1/20 0.31
F12 P00748 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ADAM17 P78536 1/20 0.30
PREP P48147 2/20 0.30
FAP Q12884 2/20 0.30
CTSB P07858 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL4046790 0.89 USP30 (0.36) CTSKCTSSCTSLUSP30CTSB
SCHEMBL4041529 0.89 CTSK (0.47) CTSKCTSSCTSLALDH1A1HSD17B10
SCHEMBL4050441 0.89 CTSK (0.39) CTSKCTSSCTSLALDH1A1HTT
SCHEMBL4042558 0.89 CTSK (0.39) CTSKCTSSCTSLALDH1A1HTT
SCHEMBL4047038 0.87 CTSK (0.39) CTSKCTSSCTSLCTSB
SCHEMBL4045248 0.86 NPC1 (0.33) CTSKCTSSCTSLUSP30ADAM17
SCHEMBL4044961 0.85 CHRNB2 (0.35) CTSKCTSSF12CTSBSMN1; SMN2
SCHEMBL4050728 0.82 SMN1; SMN2 (0.33) CTSKCTSSHTTHSD17B10CTSB
SCHEMBL4040702 0.82 CTSK (0.38) CTSKCTSSCTSLUSP30ADAM17
SCHEMBL4043865 0.82 CTSK (0.36) CTSKCTSSCTSLUSP30L3MBTL1

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