SCHEMBL31012124

SCHEMBL31012124

CC(C)c1nn(CC(=O)NC2CCCCC2)c(=O)c2cc3sc(Cl)cc3n12

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 17/20 0.84
KCNH2 Q12809 1/20 0.81
SLC18A2 Q05940 1/20 0.60
TP53 P04637 1/20 0.51

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
SCHEMBL21632457 0.99 NLRP3 (0.85) NLRP3KCNH2SLC18A2TP53
SCHEMBL21677411 0.92 NLRP3 (0.82) NLRP3KCNH2SLC18A2TP53
SCHEMBL21632361 0.91 NLRP3 (1.00) NLRP3KCNH2SLC18A2TP53
SCHEMBL21632149 0.91 NLRP3 (0.75) NLRP3KCNH2SLC18A2TP53
SCHEMBL21632315 0.91 NLRP3 (0.75) NLRP3KCNH2SLC18A2TP53
SCHEMBL21632325 0.91 NLRP3 (0.75) NLRP3KCNH2SLC18A2TP53
SCHEMBL23881929 0.90 NLRP3 (0.80) NLRP3KCNH2SLC18A2TP53
SCHEMBL21632181 0.90 NLRP3 (0.80) NLRP3KCNH2SLC18A2TP53
SCHEMBL21632138 0.90 NLRP3 (0.80) NLRP3KCNH2SLC18A2TP53
SCHEMBL21632127 0.90 NLRP3 (1.00) NLRP3KCNH2SLC18A2TP53

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
EP-3827008-B1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2024-07-31 EP claimed