SCHEMBL26437255

SCHEMBL26437255

Cc1nc(NC2CC(C)(O)C2)nnc1-c1ncc(Cl)cc1O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1B P01584 8/20 0.49
TNF P01375 2/20 0.38
NLRP3 Q96P20 3/20 0.34
HPGDS O60760 1/20 0.31

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
SCHEMBL26437279 0.89 IL1B (0.41) IL1BTNFNLRP3
SCHEMBL26437259 0.84 NLRP3 (0.40) IL1BNLRP3
SCHEMBL26437254 0.84 MKNK1 (0.34) IL1BTNFNLRP3
SCHEMBL26133269 0.84 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL26438433 0.84 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL30375286 0.84 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL26434259 0.83 IL1B (0.53) IL1BTNFNLRP3
SCHEMBL26434594 0.83 IL1B (0.67) IL1BTNFNLRP3
SCHEMBL29326525 0.83 IL1B (0.67) IL1BTNFNLRP3
SCHEMBL26437583 0.82 IL1B (0.51) IL1BTNFNLRP3HPGDS

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