SCHEMBL22014582

SCHEMBL22014582

CCc1cc(C#N)cc(C(C)C)c1CC(=O)/N=C/c1ccc(CN(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ROCK2 O75116 1/20 0.31
GSR P00390 1/20 0.31
LSS P48449 1/20 0.31

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
SCHEMBL20698683 0.82 NLRP3 (0.39) NLRP3ROCK2GSRLSS
SCHEMBL20698684 0.82 NLRP3 (0.33) NLRP3ROCK2GSRLSS
SCHEMBL22014445 0.82 NLRP3 (0.39) NLRP3ROCK2GSRLSS
SCHEMBL25139315 0.82 NLRP3 (0.33) NLRP3ROCK2GSRLSS
SCHEMBL22014446 0.82 NLRP3 (0.33) NLRP3ROCK2GSRLSS
SCHEMBL23692211 0.80 ROCK2 (0.35) NLRP3ROCK2LSS
SCHEMBL25067186 0.78 NLRP3 (0.39) NLRP3LSS
SCHEMBL23668419 0.76 NLRP3 (0.47) NLRP3ROCK2LSS
SCHEMBL29687534 0.76 NLRP3 (0.47) NLRP3ROCK2LSS
SCHEMBL29687471 0.76 NLRP3 (0.47) NLRP3ROCK2LSS

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