SCHEMBL25418554

SCHEMBL25418554

CC(C)(C)OC(=O)NC(Cc1cccc(C#N)c1)C(N)=S

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.58
CTSK P43235 12/20 0.58
CTSB P07858 4/20 0.58
CTSL P07711 2/20 0.55
ACE P12821 1/20 0.47
PTPN1 P18031 1/20 0.44
NLRP3 Q96P20 1/20 0.44
REN P00797 1/20 0.44
FOLH1 Q04609 1/20 0.42

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
SCHEMBL25419654 0.91 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL6164303 0.91 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL29907936 0.88 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL3748888 0.88 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL3748882 0.88 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL5067241 0.88 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL6163123 0.87 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL18930239 0.86 CTSS (0.56) CTSSCTSKCTSBCTSLACE
SCHEMBL4839075 0.83 CTSS (0.53) CTSSCTSKCTSBCTSLACE
SCHEMBL4499875 0.83 CTSS (0.53) CTSSCTSKCTSBCTSLACE

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
WO-2023102140-A1 TMPRSS2 INHIBITORS AND METHODS OF USE TOPSPIN THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed