SCHEMBL28934288

SCHEMBL28934288

Cc1ccc(-c2nnc(NC3CCCN(C)C3)c3cc(C)ccc23)c(O)c1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 11/20 0.80
IL1B P01584 12/20 0.62

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
SCHEMBL30101031 1.00 NLRP3 (0.80) NLRP3IL1B
SCHEMBL28934284 1.00 NLRP3 (0.80) NLRP3IL1B
SCHEMBL30108858 0.96 NLRP3 (0.80) NLRP3IL1B
SCHEMBL28934552 0.96 NLRP3 (0.80) NLRP3IL1B
SCHEMBL28934554 0.96 NLRP3 (0.80) NLRP3IL1B
SCHEMBL28934577 0.93 NLRP3 (0.73) NLRP3IL1B
SCHEMBL28934469 0.93 NLRP3 (0.73) NLRP3IL1B
SCHEMBL30108811 0.93 NLRP3 (0.73) NLRP3IL1B
SCHEMBL30108746 0.93 NLRP3 (0.73) NLRP3IL1B
SCHEMBL28934226 0.93 NLRP3 (0.73) 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
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN disclosed