SCHEMBL4048674

SCHEMBL4048674

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1)Oc1csc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.37
CTSL P07711 4/20 0.37
CTSV O60911 2/20 0.37
F12 P00748 5/20 0.35
CTSK P43235 5/20 0.33
GCK P35557 4/20 0.33
CTSB P07858 1/20 0.32
USP30 Q70CQ3 1/20 0.32
F2RL1 P55085 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
HTRA1 Q92743 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
SCHEMBL4039394 0.90 CTSL (0.42) CTSSCTSLCTSVF12CTSK
SCHEMBL4041626 0.90 CTSK (0.34) CTSSCTSLCTSK
SCHEMBL4049892 0.89 CTSS (0.37) CTSSCTSLCTSVF12CTSK
SCHEMBL4044172 0.89 CTSS (0.36) CTSSCTSLCTSVF12CTSK
SCHEMBL4045653 0.86 CTSS (0.38) CTSSCTSLCTSVF12CTSK
SCHEMBL4047634 0.85 CTSL (0.39) CTSSCTSLCTSVF12CTSK
SCHEMBL4043670 0.85 CTSV (0.37) CTSSCTSLCTSVF12GCK
SCHEMBL4214125 0.84 CTSS (0.38) CTSSCTSLCTSVF12CTSK
SCHEMBL4048072 0.84 CTSV (0.39) CTSSCTSLCTSVF12CTSK
SCHEMBL4043598 0.83 CTSS (0.37) CTSSCTSLCTSVF12CTSK

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