SCHEMBL26435636

SCHEMBL26435636

Cc1cc(C(F)(F)F)cc(O)c1-c1nnc(NC2CC(O)C2)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 20/20 0.48
TNF P01375 5/20 0.46

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
SCHEMBL26435325 0.88 NLRP3 (0.37) IL1BTNF
SCHEMBL26435664 0.87 IL1B (0.34) IL1BTNF
SCHEMBL26436141 0.87 IL1B (0.52) IL1BTNF
SCHEMBL26435640 0.87 IL1B (0.61) IL1BTNF
SCHEMBL26435695 0.85 NLRP3 (0.46) IL1BTNF
SCHEMBL26437106 0.85 IL1B (0.40) IL1BTNF
SCHEMBL26435635 0.84 NLRP3 (0.57) IL1BTNF
SCHEMBL26435631 0.83 IL1B (0.73) IL1B
SCHEMBL26436155 0.81 NLRP3 (0.39) IL1BTNF
SCHEMBL26435891 0.80 NLRP3 (0.46) IL1BTNF

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