SCHEMBL22908299

SCHEMBL22908299

C#CCNS(=O)(=O)c1ccc(CCN(Cc2cc(Cl)ccc2OCCC)C(=O)c2cn[nH]n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.72

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
SCHEMBL22908312 0.88 NLRP3 (0.73) NLRP3
SCHEMBL29694523 0.88 NLRP3 (0.73) NLRP3
SCHEMBL29694517 0.87 NLRP3 (0.74) NLRP3
SCHEMBL22908315 0.86 NLRP3 (0.73) NLRP3
SCHEMBL22908364 0.83 NLRP3 (0.74) NLRP3
SCHEMBL22908308 0.82 NLRP3 (0.78) NLRP3
SCHEMBL22908367 0.82 NLRP3 (0.78) NLRP3
SCHEMBL22908310 0.81 NLRP3 (0.70) NLRP3
SCHEMBL22908329 0.81 NLRP3 (0.72) NLRP3
SCHEMBL22908365 0.81 NLRP3 (0.72) NLRP3

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-2021011592-A1 COMPOUNDS AS NLRP3 INFLAMMASOME INHIBITORS AND COMPOSITIONS AND USES THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-01-21 WO disclosed