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SCHEMBL28934544

SCHEMBL28934544

COc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)c3ccccc23)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 9/20 0.64
▸ IL1B P01584 9/20 0.55
▸ KAT2B Q92831 2/20 0.48
▸ CHEK2 O96017 1/20 0.45
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43

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
SCHEMBL30108845 1.00 NLRP3 (0.64) NLRP3IL1BKAT2BCHEK2CHRNB2
SCHEMBL30108791 1.00 NLRP3 (0.64) NLRP3IL1BKAT2BCHEK2CHRNB2
SCHEMBL28934550 1.00 NLRP3 (0.64) NLRP3IL1BKAT2BCHEK2CHRNB2
SCHEMBL29276148 0.90 NLRP3 (0.56) NLRP3IL1BKAT2BCHRNB2CHRNB4
SCHEMBL29276145 0.90 NLRP3 (0.56) NLRP3IL1BKAT2BCHRNB2CHRNB4
SCHEMBL29275956 0.90 NLRP3 (0.68) NLRP3IL1BKAT2BCHEK2
SCHEMBL29276173 0.90 NLRP3 (0.68) NLRP3IL1BKAT2BCHEK2
SCHEMBL26117989 0.90 NLRP3 (0.55) NLRP3IL1BKAT2BCHRNB2CHRNB4
SCHEMBL26117994 0.90 NLRP3 (0.55) NLRP3IL1BKAT2BCHRNB2CHRNB4
SCHEMBL28961879 0.89 IL1B (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 — — CN disclosed