SCHEMBL29030495

SCHEMBL29030495

C#Cc1ccc(-c2nnc(NC3CC(C)(O)C3)c3c2CCCC3)c(O)c1F

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.63
IL1B P01584 8/20 0.38
TNF P01375 2/20 0.38

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
SCHEMBL25862823 1.00 NLRP3 (0.63) NLRP3IL1BTNF
SCHEMBL30488524 1.00 NLRP3 (0.63) NLRP3IL1BTNF
SCHEMBL25863872 0.90 NLRP3 (0.51) NLRP3IL1BTNF
SCHEMBL25855976 0.89 NLRP3 (0.66) NLRP3IL1BTNF
SCHEMBL25854750 0.89 NLRP3 (0.61) NLRP3IL1BTNF
SCHEMBL25855975 0.89 NLRP3 (0.60) NLRP3IL1BTNF
SCHEMBL25296232 0.83 NLRP3 (0.43) NLRP3IL1BTNF
SCHEMBL30488486 0.83 NLRP3 (0.43) NLRP3IL1BTNF
SCHEMBL25854744 0.83 NLRP3 (0.43) NLRP3IL1BTNF
SCHEMBL25854950 0.82 NLRP3 (0.67) NLRP3IL1BTNF

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
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN disclosed