SCHEMBL22013608

SCHEMBL22013608

C[C@@](O)(CO)c1ncc(S(=N)(N)=O)s1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.36
GCKR Q14397 3/20 0.36
LOXL2 Q9Y4K0 2/20 0.32
SYK P43405 1/20 0.31

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
SCHEMBL22021271 1.00 GCK (0.36) GCKGCKRLOXL2SYK
SCHEMBL30243995 1.00 GCK (0.36) GCKGCKRLOXL2SYK
SCHEMBL21962745 0.88 GCK (0.37) GCKGCKRLOXL2SYK
SCHEMBL21962161 0.88 GCK (0.37) GCKGCKRLOXL2SYK
SCHEMBL30276846 0.88 GCK (0.37) GCKGCKRLOXL2SYK
SCHEMBL21962597 0.88 GCK (0.37) GCKGCKRLOXL2SYK
SCHEMBL22012513 0.87 GCK (0.34) GCKGCKRLOXL2SYK
SCHEMBL22012765 0.87 LOXL2 (0.33) GCKGCKRLOXL2
SCHEMBL20680910 0.84 LOXL2 (0.32) GCKGCKRLOXL2
SCHEMBL22020730 0.83 FFAR2 (0.36) GCKGCKRLOXL2SYK

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
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed