SCHEMBL26438145

SCHEMBL26438145

Cc1cc(N[C@H]2C[C@@](C)(O)C2)nnc1-c1ncc(C(F)(F)F)cc1O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 19/20 0.72
TNF P01375 5/20 0.72
NLRP3 Q96P20 4/20 0.48

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
SCHEMBL26092367 1.00 IL1B (0.72) IL1BTNFNLRP3
SCHEMBL26093106 0.85 IL1B (0.60) IL1BTNFNLRP3
SCHEMBL26438424 0.85 IL1B (0.60) IL1BTNFNLRP3
SCHEMBL22672042 0.85 IL1B (0.75) IL1BTNFNLRP3
SCHEMBL26437395 0.85 IL1B (0.52) IL1BTNFNLRP3
SCHEMBL26437396 0.85 IL1B (0.54) IL1BTNFNLRP3
SCHEMBL22654923 0.84 IL1B (1.00) IL1BTNFNLRP3
SCHEMBL22679801 0.84 IL1B (1.00) IL1BTNFNLRP3
SCHEMBL26437567 0.84 IL1B (0.57) IL1BTNFNLRP3
SCHEMBL30375023 0.84 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