SCHEMBL25858377

SCHEMBL25858377

CC#Cc1ccc(-c2nnc(NC)cc2C2CC2)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.35
IL1B P01584 2/20 0.31
FASN P49327 1/20 0.30

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
SCHEMBL25859445 0.91 NLRP3 (0.35) NLRP3IL1B
SCHEMBL25859845 0.87 NLRP3 (0.36) NLRP3IL1B
SCHEMBL31314107 0.84 NLRP3 (0.34) NLRP3FASN
SCHEMBL25857850 0.81 NLRP3 (0.42) NLRP3IL1B
SCHEMBL25856431 0.80 NLRP3 (0.61) NLRP3IL1B
SCHEMBL29030571 0.80 NLRP3 (0.61) NLRP3IL1B
SCHEMBL31681928 0.76 NLRP3 (0.55) NLRP3IL1B
SCHEMBL25859161 0.74 NLRP3 (0.46) NLRP3IL1B
SCHEMBL25858493 0.73 BACE1 (0.33) NLRP3
SCHEMBL25856423 0.73 NLRP3 (0.30) 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