SCHEMBL4041994

SCHEMBL4041994

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1)Oc1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.39
CTSL P07711 5/20 0.39
CTSV O60911 2/20 0.39
USP30 Q70CQ3 1/20 0.36
CTSK P43235 7/20 0.35
HTRA1 Q92743 3/20 0.34
F12 P00748 2/20 0.33
GCK P35557 3/20 0.32
F2RL1 P55085 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL4042447 0.90 CTSL (0.43) CTSSCTSLCTSVUSP30CTSK
SCHEMBL4050151 0.90 CTSK (0.41) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4037824 0.89 CTSK (0.36) CTSSCTSLUSP30CTSK
SCHEMBL4044691 0.89 PREP (0.35) CTSK
SCHEMBL4045653 0.89 CTSS (0.38) CTSSCTSLCTSVUSP30CTSK
SCHEMBL4050085 0.89 CTSS (0.40) CTSSCTSLCTSVUSP30CTSK
SCHEMBL4041473 0.88 CTSS (0.41) CTSSCTSLCTSVUSP30CTSK
SCHEMBL4051046 0.88 CTSV (0.39) CTSSCTSLCTSVCTSKHTRA1
SCHEMBL4049892 0.86 CTSS (0.37) CTSSCTSLCTSVUSP30CTSK
SCHEMBL4046543 0.84 KCNQ1 (0.38) CTSSCTSLCTSVHTRA1F12

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