SCHEMBL30833885

SCHEMBL30833885

Cc1cc(NC2CC(C)(O)C2)nnc1-c1ccc(C#CBr)cc1O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 10/20 0.72
TNF P01375 2/20 0.65
NLRP3 Q96P20 10/20 0.52

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
SCHEMBL25861500 0.87 IL1B (0.71) IL1BTNFNLRP3
SCHEMBL30427352 0.87 IL1B (0.71) IL1BTNFNLRP3
SCHEMBL25258966 0.87 IL1B (0.71) IL1BTNFNLRP3
SCHEMBL25195389 0.87 IL1B (0.71) IL1BTNFNLRP3
SCHEMBL25854958 0.87 IL1B (0.71) IL1BTNFNLRP3
SCHEMBL31681927 0.87 IL1B (0.70) IL1BTNFNLRP3
SCHEMBL22689607 0.84 IL1B (1.00) IL1BTNFNLRP3
SCHEMBL22654969 0.84 IL1B (1.00) IL1BTNFNLRP3
SCHEMBL22654986 0.84 IL1B (1.00) IL1BTNFNLRP3
SCHEMBL22654972 0.84 IL1B (1.00) IL1BTNFNLRP3

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
EP-4613749-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2025-09-10 EP disclosed
CN-117986258-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2024-05-07 CN disclosed