SCHEMBL22011763

SCHEMBL22011763

Cc1oc(/[SH](=O)=N\C(=O)Nc2c3c(c(F)c4c2CCC4)CCC3)cc1C(C)(C)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.32

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
SCHEMBL26010398 0.88 NLRP3 (0.43) NLRP3
SCHEMBL22012786 0.81 NLRP3 (0.39) NLRP3
SCHEMBL20692425 0.80 NLRP3 (0.40) NLRP3
SCHEMBL22002717 0.79
SCHEMBL25032751 0.78 NLRP3 (0.39) NLRP3
SCHEMBL20691979 0.76 NLRP3 (0.37) NLRP3
SCHEMBL22002944 0.76 NLRP3 (0.37) NLRP3
SCHEMBL21893648 0.76 NLRP3 (0.37) NLRP3
SCHEMBL22012214 0.74 NLRP3 (0.34) NLRP3
SCHEMBL25033693 0.74 NLRP3 (0.33) NLRP3

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