SCHEMBL24840271

SCHEMBL24840271

CN1CCCC(Nc2nnc(-c3ccc(C(F)(F)F)cc3O)c3c2CCC3)C1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.84
IL1B P01584 14/20 0.78

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
SCHEMBL24575136 1.00 NLRP3 (0.84) NLRP3IL1B
SCHEMBL30108903 0.98 NLRP3 (0.81) NLRP3IL1B
SCHEMBL24575612 0.98 NLRP3 (0.81) NLRP3IL1B
SCHEMBL24575129 0.98 NLRP3 (0.81) NLRP3IL1B
SCHEMBL29276248 0.97 NLRP3 (0.80) NLRP3IL1B
SCHEMBL29275826 0.97 NLRP3 (0.80) NLRP3IL1B
SCHEMBL30214107 0.97 NLRP3 (0.80) NLRP3IL1B
Formic Acid SCHEMBL29275648 0.96 NLRP3 (0.78) NLRP3IL1B
Formic Acid SCHEMBL29275822 0.94 NLRP3 (0.75) NLRP3IL1B
SCHEMBL29275533 0.93 NLRP3 (0.74) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117881401-A NLRP3 modulators 祖玛珍生物科学有限公司 2024-04-12 CN disclosed
CN-116102535-A Nitrogen-containing compound, preparation method and application thereof 索智生物科技(浙江)有限公司 2023-05-12 CN disclosed
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
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
WO-2023278438-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD (US) 2023-01-05 WO disclosed