SCHEMBL22282197

SCHEMBL22282197

O[C@H]1CCc2cc3c(c(I)c21)CCC3

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.38
UGT2B17 O75795 2/20 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
SCHEMBL22012824 0.79 NLRP3 (0.40) NLRP3UGT2B17
SCHEMBL20681369 0.79 NLRP3 (0.38) NLRP3UGT2B17
SCHEMBL22002675 0.79 NLRP3 (0.40) NLRP3UGT2B17
SCHEMBL30770437 0.79 NLRP3 (0.38) NLRP3UGT2B17
SCHEMBL20692313 0.79 NLRP3 (0.40) NLRP3UGT2B17
SCHEMBL22011164 0.76 UGT2B17 (0.41) NLRP3UGT2B17
SCHEMBL25033687 0.76 NLRP3 (0.38) NLRP3UGT2B17
SCHEMBL25033629 0.76 NLRP3 (0.38) NLRP3UGT2B17
SCHEMBL22282284 0.76 NLRP3 (0.43) NLRP3UGT2B17
SCHEMBL24960187 0.76 NLRP3 (0.38) NLRP3UGT2B17

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-2020154499-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed