SCHEMBL22014405

SCHEMBL22014405

Cc1cc(C(C)C)c(CC(=O)N=S(=O)(N[Si](C)(C)C(C)(C)C)c2ccc(C(C)(C)N(C)C)cc2)c(C(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 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
SCHEMBL20698743 0.92 NLRP3 (0.34) SMYD3
SCHEMBL20699039 0.81 NLRP3 (0.35)
SCHEMBL20698747 0.73 NLRP3 (0.34)
SCHEMBL20681168 0.67 ALDH1A1 (0.41) SMYD3
SCHEMBL25067006 0.66 NLRP3 (0.44)
SCHEMBL20681244 0.65 SMYD3 (0.36) SMYD3
SCHEMBL21962083 0.64 BACE1 (0.36)
SCHEMBL22014340 0.62 NLRP3 (0.36)
SCHEMBL23692255 0.62 NLRP3 (0.35)
SCHEMBL23692319 0.62 NLRP3 (0.35)

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