SCHEMBL4044172

SCHEMBL4044172

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1)Oc1csc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.36
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
GCK P35557 1/20 0.35
F12 P00748 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
FKBP1A P62942 1/20 0.34
GPR132 Q9UNW8 1/20 0.34
CPB2 Q96IY4 1/20 0.33
HTRA1 Q92743 1/20 0.33

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
SCHEMBL4043670 0.91 CTSV (0.37) CTSSCTSVCTSLGCKF12
SCHEMBL4045645 0.90 SMYD3 (0.34) CTSSCTSLCTSBCTSKFKBP1A
SCHEMBL4048072 0.89 CTSV (0.39) CTSSCTSVCTSLF12CTSK
SCHEMBL4048674 0.89 CTSS (0.37) CTSSCTSVCTSLGCKF12
SCHEMBL4045088 0.88 CTSS (0.37) CTSSCTSVCTSLF12CTSB
SCHEMBL4045926 0.86 GPR132 (0.36) CTSSCTSVCTSLGCKFKBP1A
SCHEMBL4039394 0.85 CTSL (0.42) CTSSCTSVCTSLGCKF12
SCHEMBL4049892 0.84 CTSS (0.37) CTSSCTSVCTSLGCKF12
SCHEMBL4047756 0.83 CTSL (0.38) CTSSCTSVCTSLCTSKFKBP1A
SCHEMBL4214125 0.83 CTSS (0.38) CTSSCTSVCTSLGCKF12

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