SCHEMBL26436170

SCHEMBL26436170

Cc1cc(Cl)cc(O)c1-c1nnc(NC2CCCN(C3CC(C)(O)C3)C2)c2cccnc12

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.42
IL1B P01584 12/20 0.41
TNF P01375 1/20 0.36

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
SCHEMBL26435671 0.94 IL1B (0.41) NLRP3IL1BTNF
SCHEMBL26436158 0.93 NLRP3 (0.46) NLRP3IL1BTNF
SCHEMBL26436040 0.90 IL1B (0.55) NLRP3IL1BTNF
SCHEMBL26435057 0.90 NLRP3 (0.49) NLRP3IL1BTNF
SCHEMBL26436168 0.87 IL1B (0.48) NLRP3IL1BTNF
SCHEMBL26435329 0.87 NLRP3 (0.44) NLRP3IL1BTNF
SCHEMBL26436165 0.86 NLRP3 (0.56) NLRP3IL1B
SCHEMBL26436034 0.86 NLRP3 (0.51) NLRP3IL1B
SCHEMBL26435878 0.85 IL1B (0.44) NLRP3IL1B
SCHEMBL26437131 0.84 NLRP3 (0.47) NLRP3IL1B

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
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed