SCHEMBL29276147

SCHEMBL29276147

CN1CCCC(Nc2nnc(-c3ncc(Cl)cc3O)c3ccccc23)C1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.81
IL1B P01584 8/20 0.52
KAT2B Q92831 2/20 0.48
CCNT1 O60563 1/20 0.46
CCNK O75909 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
CHEK2 O96017 1/20 0.43
CHEK1 O14757 1/20 0.42

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
SCHEMBL29275831 1.00 NLRP3 (0.81) NLRP3IL1BKAT2BCCNT1CCNK
SCHEMBL30214821 1.00 NLRP3 (0.81) NLRP3IL1BKAT2BCCNT1CCNK
SCHEMBL29275784 0.90 NLRP3 (0.66) NLRP3IL1B
SCHEMBL30214155 0.90 NLRP3 (0.66) NLRP3IL1B
SCHEMBL28963198 0.89 NLRP3 (1.00) NLRP3IL1BKAT2BCHEK2
SCHEMBL28963200 0.89 NLRP3 (1.00) NLRP3IL1BKAT2BCHEK2
SCHEMBL30108655 0.89 NLRP3 (1.00) NLRP3IL1BKAT2BCHEK2
SCHEMBL30108628 0.89 NLRP3 (1.00) NLRP3IL1BKAT2BCHEK2
SCHEMBL30108740 0.88 NLRP3 (0.79) NLRP3IL1BKAT2BCHEK2CHEK1
SCHEMBL28934418 0.88 NLRP3 (0.79) NLRP3IL1BKAT2BCHEK2CHEK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed