SCHEMBL26436779

SCHEMBL26436779

CN1CCCC(Nc2nnc(-c3ncc(C(F)(F)F)cc3O)c3c2CCC3)C1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.64
IL1B P01584 16/20 0.64

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
SCHEMBL26437563 0.88 IL1B (0.75) NLRP3IL1B
SCHEMBL26436746 0.87 NLRP3 (0.71) NLRP3IL1B
SCHEMBL26436799 0.86 NLRP3 (0.48) NLRP3IL1B
SCHEMBL24840271 0.86 NLRP3 (0.84) NLRP3IL1B
SCHEMBL24575136 0.86 NLRP3 (0.84) NLRP3IL1B
SCHEMBL26436788 0.85 IL1B (0.48) NLRP3IL1B
SCHEMBL26436520 0.84 NLRP3 (0.77) NLRP3IL1B
SCHEMBL24574777 0.84 IL1B (0.70) NLRP3IL1B
SCHEMBL26436792 0.84 IL1B (0.47) NLRP3IL1B
SCHEMBL24575612 0.84 NLRP3 (0.81) 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