SCHEMBL25864642

SCHEMBL25864642

C#Cc1ccc(-c2nnc(NC3CC(C)(OC)C3)c3c2C2CCC3C2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.43
IL1B P01584 6/20 0.35
TNF P01375 1/20 0.33

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
SCHEMBL25863760 0.96 NLRP3 (0.44) NLRP3IL1BTNF
SCHEMBL25856155 0.90 NLRP3 (0.54) NLRP3IL1BTNF
SCHEMBL25864641 0.87 NLRP3 (0.48) NLRP3IL1BTNF
SCHEMBL25864643 0.86 NLRP3 (0.42) NLRP3IL1BTNF
SCHEMBL25854620 0.85 NLRP3 (0.56) NLRP3IL1BTNF
SCHEMBL25862667 0.85 NLRP3 (0.56) NLRP3IL1BTNF
SCHEMBL25864509 0.83 NLRP3 (0.41) NLRP3IL1BTNF
SCHEMBL25864071 0.81 IL1B (0.42) NLRP3IL1BTNF
SCHEMBL25863753 0.81 NLRP3 (0.63) NLRP3IL1BTNF
SCHEMBL25863763 0.81 NLRP3 (0.44) 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
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