SCHEMBL25855250

SCHEMBL25855250

C#Cc1ccc(-c2nnc(N[C@@H]3CCCSC3)c3c2CCCC3)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.54
IL1B P01584 2/20 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
SCHEMBL25855088 0.84 KDM4E (0.41) NLRP3IL1B
SCHEMBL25855247 0.82 NLRP3 (0.54) NLRP3IL1B
SCHEMBL25302297 0.82 NLRP3 (0.57) NLRP3IL1B
SCHEMBL25303433 0.82 NLRP3 (0.57) NLRP3IL1B
SCHEMBL25854954 0.82 NLRP3 (0.57) NLRP3IL1B
SCHEMBL25294814 0.81 NLRP3 (0.55) NLRP3IL1B
SCHEMBL30488623 0.81 NLRP3 (0.55) NLRP3IL1B
SCHEMBL25855246 0.81 NLRP3 (0.55) NLRP3IL1B
SCHEMBL29030504 0.81 NLRP3 (0.57) NLRP3IL1B
SCHEMBL30488478 0.81 NLRP3 (0.57) 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