SCHEMBL22014845

SCHEMBL22014845

CC(C)c1cc2c(c(C(C)C)c1CC(=O)N[SH](N)(=O)c1sc(CN(C)C)cc1F)COC2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL22014346 0.76 NLRP3 (0.32) NLRP3
SCHEMBL22015594 0.76 NLRP3 (0.36) NLRP3
SCHEMBL22014420 0.75 NLRP3 (0.31) NLRP3
SCHEMBL22015607 0.70 HSP90AA1 (0.33)
SCHEMBL29687381 0.69 KDM4E (0.32)
SCHEMBL22014721 0.69
SCHEMBL21962221 0.69 KDM4E (0.32)
SCHEMBL23319827 0.68
SCHEMBL25066982 0.66 NLRP3 (0.36) NLRP3
SCHEMBL22015606 0.65

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-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed