SCHEMBL25856431

SCHEMBL25856431

CC#Cc1ccc(-c2nnc(NC3CCCN(C)C3)cc2C2CC2)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 14/20 0.61
IL1B P01584 11/20 0.57

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
SCHEMBL29030571 1.00 NLRP3 (0.61) NLRP3IL1B
SCHEMBL30488487 0.90 NLRP3 (0.62) NLRP3IL1B
SCHEMBL25257309 0.90 NLRP3 (0.62) NLRP3IL1B
SCHEMBL25296224 0.90 NLRP3 (0.62) NLRP3IL1B
SCHEMBL30488474 0.90 NLRP3 (0.62) NLRP3IL1B
SCHEMBL25856166 0.89 IL1B (0.72) NLRP3IL1B
SCHEMBL29030538 0.89 IL1B (0.72) NLRP3IL1B
SCHEMBL31681928 0.89 NLRP3 (0.55) NLRP3IL1B
SCHEMBL30834040 0.87 NLRP3 (0.58) NLRP3IL1B
SCHEMBL30893684 0.84 NLRP3 (0.54) NLRP3IL1B

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