SCHEMBL26435868

SCHEMBL26435868

CN1CCCC(Nc2nnc(-c3ccc(Cl)cc3O)c3cccnc23)C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 11/20 0.61
NLRP3 Q96P20 11/20 0.56
KAT2B Q92831 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
SCHEMBL30214072 1.00 IL1B (0.61) IL1BNLRP3KAT2B
SCHEMBL26438741 1.00 IL1B (0.61) IL1BNLRP3KAT2B
SCHEMBL26435892 0.93 IL1B (0.61) IL1BNLRP3
SCHEMBL26438743 0.93 IL1B (0.61) IL1BNLRP3
SCHEMBL30108645 0.90 NLRP3 (0.69) IL1BNLRP3KAT2B
SCHEMBL26435350 0.90 NLRP3 (0.69) IL1BNLRP3KAT2B
SCHEMBL29275814 0.90 NLRP3 (0.69) IL1BNLRP3KAT2B
SCHEMBL30214838 0.88 IL1B (0.66) IL1BNLRP3KAT2B
SCHEMBL30108751 0.88 IL1B (0.66) IL1BNLRP3KAT2B
SCHEMBL26092302 0.88 IL1B (0.66) IL1BNLRP3KAT2B

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