SCHEMBL21583702

SCHEMBL21583702

CC(C)n1nc([SH](=O)=O)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 2/20 0.35

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
SCHEMBL15723698 0.76 CYP3A4 (0.37) MAP3K12
SCHEMBL14015687 0.76 ALDH1A1 (0.37) MAP3K12
SCHEMBL18853941 0.76 KDM4E (0.37) MAP3K12
SCHEMBL21503677 0.74 MAP3K12 (0.42) MAP3K12
SCHEMBL15723703 0.73 MAP3K12 (0.38) MAP3K12
SCHEMBL15723827 0.73 MAP3K12 (0.38) MAP3K12
SCHEMBL18007558 0.73 GABRP (0.38) MAP3K12
SCHEMBL14401138 0.71 MAP3K12 (0.35) MAP3K12
SCHEMBL18007613 0.71 MAP3K12 (0.33) MAP3K12
SCHEMBL18007681 0.71 MAP3K12 (0.35) MAP3K12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3888749-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University of Queensland (AU) 2021-10-06 EP disclosed
EP-3578547-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University of Queensland (AU) 2019-12-11 EP disclosed