SCHEMBL22015611

SCHEMBL22015611

CC(C)c1cc(C#N)cc(C2CC2)c1CC(=O)N=S(C)(=O)c1ccc(CN(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.36
LSS P48449 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
STAT3 P40763 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
MAPK8 P45983 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL25066905 0.91 NLRP3 (0.36) NLRP3LSSSMYD3TAS2R14STAT3
SCHEMBL25067028 0.91 NLRP3 (0.36) NLRP3LSSSMYD3TAS2R14STAT3
SCHEMBL22014337 0.91 NLRP3 (0.36) NLRP3LSSSMYD3TAS2R14STAT3
SCHEMBL20698685 0.83 NLRP3 (0.31) NLRP3
SCHEMBL22015051 0.82 SLC6A2 (0.31) NLRP3SLC6A2SLC6A4
SCHEMBL22014366 0.82 NLRP3 (0.33) NLRP3
SCHEMBL20698803 0.82 NLRP3 (0.33) NLRP3
SCHEMBL23668409 0.82 NLRP3 (0.44) NLRP3LSSSMYD3TAS2R14STAT3
SCHEMBL29687811 0.82 NLRP3 (0.44) NLRP3LSSSMYD3TAS2R14STAT3
SCHEMBL29687146 0.82 NLRP3 (0.44) NLRP3LSSSMYD3TAS2R14STAT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed