SCHEMBL22012513

SCHEMBL22012513

CC(O)(CO)c1ncc(S(C)(=N)=O)s1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.34
GCKR Q14397 3/20 0.34
SYK P43405 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL22020730 0.88 FFAR2 (0.36) GCKGCKRSYKLOXL2
SCHEMBL22021271 0.87 GCK (0.36) GCKGCKRSYKLOXL2
SCHEMBL22013608 0.87 GCK (0.36) GCKGCKRSYKLOXL2
SCHEMBL30243995 0.87 GCK (0.36) GCKGCKRSYKLOXL2
SCHEMBL22020118 0.86 LOXL2 (0.31) LOXL2
SCHEMBL21962745 0.83 GCK (0.37) GCKGCKRSYKLOXL2
SCHEMBL21962597 0.83 GCK (0.37) GCKGCKRSYKLOXL2
SCHEMBL30276846 0.83 GCK (0.37) GCKGCKRSYKLOXL2
SCHEMBL21962161 0.83 GCK (0.37) GCKGCKRSYKLOXL2
SCHEMBL24499800 0.80 LOXL2 (0.34) LOXL2

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-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed