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Sugi Predict / Compounds / SCHEMBL22012969

SCHEMBL22012969

SCHEMBL22012969

CN(C(=O)OC(C)(C)C)C1CCc2cc(S(=O)(=NC(=O)Nc3c4c(cc5c3CCC5)CCC4)N[Si](C)(C)C(C)(C)C)sc2C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 14/20 0.33
▸ CA2 P00918 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
SCHEMBL22012725 0.81 KDM4D (0.31) —
SCHEMBL22013675 0.77 NLRP3 (0.54) NLRP3CA2
SCHEMBL20692224 0.74 NLRP3 (0.37) NLRP3
SCHEMBL21962505 0.74 NLRP3 (0.40) NLRP3
SCHEMBL22012759 0.74 NLRP3 (0.34) NLRP3CA2
SCHEMBL21962752 0.74 NLRP3 (0.40) NLRP3CA2
SCHEMBL25031530 0.73 KDM4D (0.32) —
SCHEMBL25033947 0.72 CA2 (0.36) CA2
SCHEMBL21810629 0.72 NLRP3 (0.44) NLRP3CA2
SCHEMBL22012726 0.71 JAK2 (0.31) —

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-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 — — WO disclosed