SCHEMBL25856248

SCHEMBL25856248

C=Cc1ccc(-c2nnc(NC3CCCN(C)C3)nc2C)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 8/20 0.52
NLRP3 Q96P20 14/20 0.51

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
SCHEMBL30488480 1.00 IL1B (0.52) IL1BNLRP3
SCHEMBL29030548 1.00 IL1B (0.52) IL1BNLRP3
SCHEMBL30295360 0.88 NLRP3 (0.42) IL1BNLRP3
SCHEMBL26434275 0.87 NLRP3 (0.63) IL1BNLRP3
SCHEMBL25856347 0.86 IL1B (0.47) IL1BNLRP3
SCHEMBL30054913 0.85 NLRP3 (0.60) IL1BNLRP3
SCHEMBL26089562 0.85 IL1B (0.70) IL1BNLRP3
SCHEMBL30055336 0.85 IL1B (0.70) IL1BNLRP3
SCHEMBL29159535 0.85 NLRP3 (0.60) IL1BNLRP3
SCHEMBL26089569 0.85 IL1B (0.70) IL1BNLRP3

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
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
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN disclosed