SCHEMBL26438744

SCHEMBL26438744

Cc1cc(Cl)cc(O)c1-c1nnc(N[C@@H]2CCCN(C)C2)c2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 13/20 0.56
NLRP3 Q96P20 12/20 0.54

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
SCHEMBL26435656 1.00 IL1B (0.56) IL1BNLRP3
SCHEMBL26436165 0.93 NLRP3 (0.56) IL1BNLRP3
SCHEMBL26435319 0.92 NLRP3 (0.60) IL1BNLRP3
SCHEMBL26435631 0.89 IL1B (0.73) IL1BNLRP3
SCHEMBL26435049 0.88 NLRP3 (0.66) IL1BNLRP3
SCHEMBL26438084 0.88 NLRP3 (0.66) IL1BNLRP3
SCHEMBL30214072 0.88 IL1B (0.61) IL1BNLRP3
SCHEMBL26438741 0.88 IL1B (0.61) IL1BNLRP3
SCHEMBL26435868 0.88 IL1B (0.61) IL1BNLRP3
SCHEMBL26435680 0.86 NLRP3 (0.44) IL1BNLRP3

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