SCHEMBL30833956

SCHEMBL30833956

C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(CCOC)C3)cc2C2CC2)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.53
IL1B P01584 9/20 0.43
KAT2B Q92831 1/20 0.39
CCNT1 O60563 1/20 0.37
CCNK O75909 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
KCNH2 Q12809 1/20 0.35

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
SCHEMBL30833996 0.90 NLRP3 (0.54) NLRP3IL1B
SCHEMBL30833866 0.89 NLRP3 (0.67) NLRP3IL1BKCNH2
SCHEMBL30833961 0.87 NLRP3 (0.42) NLRP3IL1BKAT2BCCNT1CCNK
SCHEMBL30488474 0.86 NLRP3 (0.62) NLRP3IL1B
SCHEMBL30488487 0.86 NLRP3 (0.62) NLRP3IL1B
SCHEMBL25296224 0.86 NLRP3 (0.62) NLRP3IL1B
SCHEMBL25257309 0.86 NLRP3 (0.62) NLRP3IL1B
SCHEMBL31197279 0.86 NLRP3 (0.58) NLRP3IL1BKCNH2
SCHEMBL29030526 0.86 NLRP3 (0.58) NLRP3IL1BKCNH2
SCHEMBL30488535 0.86 NLRP3 (0.58) NLRP3IL1BKCNH2

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