SCHEMBL24840762

SCHEMBL24840762

Cc1ccc(-c2nnc(N(C)[C@@H]3CCCN(C)C3)c3ccccc23)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.51
IL1B P01584 10/20 0.48
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL24840029 1.00 NLRP3 (0.51) NLRP3IL1BPOLBMAPK1NPSR1
SCHEMBL30108706 1.00 NLRP3 (0.51) NLRP3IL1BPOLBMAPK1NPSR1
SCHEMBL28934320 0.87 NLRP3 (0.41) NLRP3IL1BMAPK1
SCHEMBL28934321 0.87 NLRP3 (0.41) NLRP3IL1BMAPK1
SCHEMBL26772312 0.82 NLRP3 (0.51) NLRP3IL1B
SCHEMBL30108895 0.81 CHEK2 (0.45) NLRP3IL1B
SCHEMBL28934840 0.81 CHEK2 (0.45) NLRP3IL1B
SCHEMBL28934843 0.81 CHEK2 (0.45) NLRP3IL1B
SCHEMBL24840287 0.79 NLRP3 (0.52) NLRP3IL1B
SCHEMBL28934400 0.79 NLRP3 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117881401-A NLRP3 modulators 祖玛珍生物科学有限公司 2024-04-12 CN disclosed
WO-2023278438-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD (US) 2023-01-05 WO disclosed
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