SCHEMBL20698952

SCHEMBL20698952

CC(=O)Cc1c(C2CC2)cc(C#N)c(F)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.35
XIAP P98170 2/20 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
SCHEMBL20681231 0.90 NLRP3 (0.35) NLRP3
SCHEMBL30791038 0.90 NLRP3 (0.35) NLRP3
SCHEMBL23692244 0.89 NLRP3 (0.35) NLRP3
SCHEMBL23319876 0.89 NLRP3 (0.35) NLRP3
SCHEMBL23319851 0.87 NLRP3 (0.36) NLRP3
SCHEMBL24116492 0.85 NLRP3 (0.36) NLRP3
SCHEMBL25139038 0.85 NLRP3 (0.34) NLRP3
SCHEMBL25139101 0.81 NLRP3 (0.30) NLRP3
SCHEMBL20699031 0.76 NLRP3 (0.34) NLRP3
SCHEMBL22014848 0.76 NLRP3 (0.35) 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-2019023145-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed