SCHEMBL24840758

SCHEMBL24840758

Cc1cc(C)c(-c2nnc(N[C@@H]3CCCN(C)C3)c3ccccc23)c(O)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.73
IL1B P01584 11/20 0.61
KAT2B Q92831 2/20 0.49
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL30168047 1.00 NLRP3 (0.73) NLRP3IL1BKAT2BALDH1A1
SCHEMBL26434876 1.00 NLRP3 (0.73) NLRP3IL1BKAT2BALDH1A1
SCHEMBL26438084 0.91 NLRP3 (0.66) NLRP3IL1BKAT2B
SCHEMBL26435049 0.91 NLRP3 (0.66) NLRP3IL1BKAT2B
SCHEMBL29275788 0.89 NLRP3 (0.61) NLRP3IL1B
SCHEMBL26436139 0.89 IL1B (0.79) NLRP3IL1B
SCHEMBL30213939 0.89 NLRP3 (0.61) NLRP3IL1B
SCHEMBL30994383 0.88 NLRP3 (0.67) NLRP3IL1BKAT2BALDH1A1
SCHEMBL29275801 0.88 NLRP3 (0.67) NLRP3IL1BKAT2BALDH1A1
SCHEMBL26435319 0.88 NLRP3 (0.60) NLRP3IL1BKAT2B

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 2 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