SCHEMBL26434716

SCHEMBL26434716

Cc1cc(Cl)cc(O)c1-c1ncc(NC2CC(O)C2)nn1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 20/20 0.44
TNF P01375 3/20 0.44
NLRP3 Q96P20 3/20 0.40

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
SCHEMBL26434708 0.90 IL1B (0.42) IL1BTNFNLRP3
SCHEMBL26434713 0.86 IL1B (0.57) IL1BTNFNLRP3
SCHEMBL26441914 0.83 IL1B (0.56) IL1BTNFNLRP3
SCHEMBL26091811 0.83 IL1B (0.56) IL1BTNFNLRP3
SCHEMBL30375289 0.83 IL1B (0.56) IL1BTNFNLRP3
SCHEMBL26091725 0.80 IL1B (0.49) IL1BTNFNLRP3
SCHEMBL30374753 0.80 IL1B (0.49) IL1BTNFNLRP3
SCHEMBL26434714 0.80 IL1B (0.49) IL1BTNFNLRP3
SCHEMBL26434719 0.79 IL1B (0.61) IL1BNLRP3
SCHEMBL26093867 0.77 IL1B (0.71) IL1BTNFNLRP3

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