SCHEMBL21677404

SCHEMBL21677404

C=NC(=O)Cn1nc(C(C)C)n2c(cc3sc(Cl)cc32)c1=O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 20/20 0.62
KCNH2 Q12809 1/20 0.59

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
SCHEMBL23881942 0.89 NLRP3 (0.67) NLRP3KCNH2
SCHEMBL21677280 0.87 NLRP3 (0.65) NLRP3KCNH2
SCHEMBL21677413 0.85 NLRP3 (0.70) NLRP3KCNH2
SCHEMBL21677359 0.83 NLRP3 (0.61) NLRP3KCNH2
SCHEMBL21677197 0.82 NLRP3 (0.61) NLRP3KCNH2
SCHEMBL21632241 0.82 NLRP3 (0.66) NLRP3KCNH2
SCHEMBL21632281 0.82 NLRP3 (0.66) NLRP3KCNH2
SCHEMBL21632282 0.82 NLRP3 (0.66) NLRP3KCNH2
SCHEMBL21632379 0.82 NLRP3 (0.66) NLRP3KCNH2
SCHEMBL21677366 0.81 NLRP3 (0.58) NLRP3KCNH2

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-2020021447-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2020-01-30 WO disclosed