SCHEMBL22012765

SCHEMBL22012765

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.33
GCK P35557 3/20 0.30
GCKR Q14397 3/20 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
SCHEMBL30243995 0.87 GCK (0.36) LOXL2GCKGCKR
SCHEMBL22021271 0.87 GCK (0.36) LOXL2GCKGCKR
SCHEMBL22013608 0.87 GCK (0.36) LOXL2GCKGCKR
SCHEMBL22020118 0.86 LOXL2 (0.31) LOXL2
SCHEMBL20680910 0.83 LOXL2 (0.32) LOXL2GCKGCKR
SCHEMBL22012468 0.77 LOXL2 (0.31) LOXL2
SCHEMBL21962597 0.74 GCK (0.37) LOXL2GCKGCKR
SCHEMBL21962745 0.74 GCK (0.37) LOXL2GCKGCKR
SCHEMBL21962161 0.74 GCK (0.37) LOXL2GCKGCKR
SCHEMBL30276846 0.74 GCK (0.37) LOXL2GCKGCKR

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