SCHEMBL4041473

SCHEMBL4041473

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)Oc1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.41
CTSL P07711 4/20 0.41
CTSV O60911 2/20 0.41
CTSK P43235 5/20 0.39
HTRA1 Q92743 3/20 0.34
F2RL1 P55085 2/20 0.34
F12 P00748 2/20 0.34
USP30 Q70CQ3 1/20 0.34
EPHX2 P34913 1/20 0.33
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 1/20 0.32
PSMA4 P25789 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMA5 P28066 1/20 0.32
PSMB4 P28070 1/20 0.32

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
SCHEMBL4042251 0.89 CTSK (0.50) CTSSCTSLCTSK
SCHEMBL4040451 0.88 CTSK (0.41) CTSSCTSLCTSKPREPFAP
SCHEMBL4049243 0.88 CTSK (0.44) CTSSCTSLCTSK
SCHEMBL4041994 0.88 CTSS (0.39) CTSSCTSLCTSVCTSKHTRA1
SCHEMBL4041369 0.88 CTSS (0.42) CTSSCTSLCTSVCTSKHTRA1
SCHEMBL4042447 0.86 CTSL (0.43) CTSSCTSLCTSVCTSKUSP30
SCHEMBL4047634 0.85 CTSL (0.39) CTSSCTSLCTSVCTSKHTRA1
SCHEMBL4045653 0.85 CTSS (0.38) CTSSCTSLCTSVCTSKHTRA1
SCHEMBL4041667 0.83 HTRA1 (0.38) CTSSCTSLCTSVCTSKHTRA1
SCHEMBL4044727 0.81 CTSK (0.38) CTSSCTSLCTSVCTSKF12

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