SCHEMBL22014830

SCHEMBL22014830

CC(C)c1cc(C#N)c(F)c(C(C)C)c1CC(=O)CN=S(N)(=O)c1nc(C(C)(C)O)cs1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.48

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
SCHEMBL22014831 0.89 NLRP3 (0.49) NLRP3
SCHEMBL22014448 0.89 NLRP3 (0.49) NLRP3
SCHEMBL25066906 0.84 NLRP3 (0.44) NLRP3
SCHEMBL22015625 0.77 NLRP3 (0.37) NLRP3
SCHEMBL20698767 0.77 NLRP3 (0.37) NLRP3
SCHEMBL20698703 0.76 NLRP3 (0.36) NLRP3
SCHEMBL20698702 0.76 NLRP3 (0.36) NLRP3
SCHEMBL22014352 0.76 NLRP3 (0.47) NLRP3
SCHEMBL25066891 0.74 NLRP3 (0.33) NLRP3
SCHEMBL25066984 0.73 NLRP3 (0.61) 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-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed