SCHEMBL22014375

SCHEMBL22014375

C=C/C(=C\C)c1cc(C(C)C)c(CC(=O)N=S(N)(=O)c2ccc(CN(C)C)cc2)c(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.40
HSP90AA1 P07900 1/20 0.31
GSR P00390 1/20 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
SCHEMBL20698692 0.87 NLRP3 (0.42) NLRP3HSP90AA1GSR
SCHEMBL25067006 0.84 NLRP3 (0.44) NLRP3HSP90AA1GSR
SCHEMBL20698686 0.82 NLRP3 (0.42) NLRP3HSP90AA1GSR
SCHEMBL22014583 0.82 NLRP3 (0.42) NLRP3HSP90AA1GSR
SCHEMBL20698687 0.82 NLRP3 (0.42) NLRP3HSP90AA1GSR
SCHEMBL22014416 0.82 NLRP3 (0.42) NLRP3HSP90AA1GSR
SCHEMBL20698694 0.81 NLRP3 (0.50) NLRP3HSP90AA1
SCHEMBL25066943 0.81 NLRP3 (0.39) NLRP3
SCHEMBL20699061 0.80 NLRP3 (0.46) NLRP3HSP90AA1GSR
SCHEMBL20698839 0.80 NLRP3 (0.41) 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