SCHEMBL25864508

SCHEMBL25864508

C#Cc1ccc(-c2nnc(NC3CC(C)(OC)C3)c3c2CCCC3)c(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.58

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
SCHEMBL25864067 0.90 NLRP3 (0.54) NLRP3
SCHEMBL25863753 0.89 NLRP3 (0.63) NLRP3
SCHEMBL25856087 0.89 NLRP3 (0.74) NLRP3
SCHEMBL25864066 0.88 NLRP3 (0.52) NLRP3
SCHEMBL25864640 0.88 NLRP3 (0.65) NLRP3
SCHEMBL25864507 0.85 NLRP3 (0.41) NLRP3
SCHEMBL25864065 0.83 NLRP3 (0.48) NLRP3
SCHEMBL25864431 0.83 NLRP3 (0.54) NLRP3
SCHEMBL25864068 0.80 NLRP3 (0.45) NLRP3
SCHEMBL25864304 0.79 NLRP3 (0.43) 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-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed