SCHEMBL5243265

SCHEMBL5243265

COC(=O)C(CNC(=O)OC(C)(C)C)Nc1nsc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
EPAS1 Q99814 4/20 0.38
KLK5 Q9Y337 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.35
CYP1A2 P05177 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35

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
SCHEMBL2970060 0.83 CTSS (0.43) CTSLCTSSCTSKEPAS1KLK5
SCHEMBL5325953 0.75 TRPV1 (0.43) TP53SMN1; SMN2
SCHEMBL6503512 0.73 SYK (0.41) SYKCTSLCTSSCTSKKLK5
SCHEMBL5372372 0.72 EPAS1 (0.48) EPAS1TP53
SCHEMBL2970876 0.70 EPAS1 (0.44) SYKEPAS1TP53SMN1; SMN2
SCHEMBL13202519 0.69 CA2 (0.47) CTSLCTSSCTSKMALT1BRD4
SCHEMBL12358021 0.69 SYK (0.42) SYKCTSLCTSSCTSKKLK5
SCHEMBL15483314 0.69 SYK (0.42) SYKCTSLCTSSCTSKKLK5
SCHEMBL14110740 0.69 MEN1 (0.44) SYKCTSLCTSSCTSKKLK5
SCHEMBL7655323 0.69 ITGAV (0.44) SYKCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO claimed