SCHEMBL5581287

SCHEMBL5581287

C[Si](C)(C)CC(NC(=O)c1cccc(-c2cccnc2)c1)C(=O)N(C#N)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.48
CTSL P07711 6/20 0.48
CTSB P07858 5/20 0.48
CTSV O60911 1/20 0.48
KMO O15229 1/20 0.41
CTSK P43235 3/20 0.41
GPR132 Q9UNW8 5/20 0.39
SUCNR1 Q9BXA5 2/20 0.39
SMO Q99835 1/20 0.39
SMPD1 P17405 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5582056 0.84 CTSB (0.39) CTSSCTSLCTSBCTSVCTSK
SCHEMBL5581290 0.83 CTSL (0.43) CTSSCTSLCTSBCTSVKMO
SCHEMBL5519856 0.78 CTSL (0.59) CTSSCTSLCTSBCTSVCTSK
SCHEMBL5519863 0.78 CTSL (0.59) CTSSCTSLCTSBCTSVCTSK
SCHEMBL5520635 0.67 CTSL (0.62) CTSSCTSLCTSBCTSK
SCHEMBL14507768 0.67 MKNK1 (0.72) KMOSMPD1KDM4E
SCHEMBL1399704 0.67 KMO (0.67) KMOSUCNR1SMPD1KDM4E
SCHEMBL13626336 0.66 KMO (0.61) CTSSCTSLCTSBCTSVKMO
SCHEMBL6048160 0.65 CTSL (0.54) CTSSCTSLCTSBCTSK
SCHEMBL13188259 0.65 KMO (0.69) KMOSMPD1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007519744-A 2007-07-19 JP claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP claimed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed