SCHEMBL26437396

SCHEMBL26437396

Cc1cc(NC2CCCN(C3CC(C)(O)C3)C2)nnc1-c1ncc(C(F)(F)F)cc1O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1B P01584 18/20 0.54
NLRP3 Q96P20 8/20 0.54
TNF P01375 3/20 0.54
KCNH2 Q12809 1/20 0.44

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
SCHEMBL26437720 0.91 IL1B (0.59) IL1BNLRP3TNFKCNH2
SCHEMBL26437423 0.89 NLRP3 (0.47) IL1BNLRP3TNF
SCHEMBL26437568 0.87 IL1B (0.56) IL1BNLRP3TNFKCNH2
SCHEMBL26437409 0.87 IL1B (0.52) IL1BNLRP3TNF
SCHEMBL26437245 0.86 IL1B (0.43) IL1BNLRP3TNFKCNH2
SCHEMBL26436788 0.85 IL1B (0.48) IL1BNLRP3TNF
SCHEMBL26092367 0.85 IL1B (0.72) IL1BNLRP3TNF
SCHEMBL26438145 0.85 IL1B (0.72) IL1BNLRP3TNF
SCHEMBL26089483 0.84 IL1B (0.75) IL1BNLRP3
SCHEMBL26089492 0.84 IL1B (0.75) 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