SCHEMBL22014832

SCHEMBL22014832

CC(C)c1cc(C#N)c(F)c(C(C)C)c1CC(=O)N[SH](N)(=O)c1cc(C(C)(C)O)n(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.44
P2RX7 Q99572 5/20 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
SCHEMBL22014415 0.78 NLRP3 (0.43) NLRP3
SCHEMBL20698963 0.77 NLRP3 (0.51) NLRP3
SCHEMBL23692265 0.74 NLRP3 (0.61) NLRP3
SCHEMBL25066964 0.73 NLRP3 (0.38) NLRP3
SCHEMBL22014426 0.72 NLRP3 (0.41) NLRP3
SCHEMBL25139122 0.71 NLRP3 (0.47) NLRP3
SCHEMBL19507307 0.67 NLRP3 (0.40) NLRP3P2RX7
SCHEMBL29687458 0.67 NLRP3 (0.48) NLRP3
SCHEMBL20681566 0.67 NLRP3 (0.48) NLRP3
SCHEMBL24783796 0.67 P2RX7 (0.36) P2RX7

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