SCHEMBL28625375

SCHEMBL28625375

CC1(C)CC(C(=O)NCCN=C=S)C(C)(C)N1ON1C(C)(C)CC(C(=O)NCCN=C=S)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.38
NFE2L2 Q16236 5/20 0.38
SLC2A1 P11166 1/20 0.31

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
SCHEMBL2024876 0.86 KEAP1 (0.40) KEAP1NFE2L2SLC2A1
SCHEMBL2030480 0.85 KEAP1 (0.39) KEAP1NFE2L2SLC2A1
SCHEMBL8670419 0.78 KEAP1 (0.46) KEAP1NFE2L2
SCHEMBL8411554 0.76 KEAP1 (0.35) KEAP1NFE2L2
SCHEMBL28630265 0.73
SCHEMBL28625373 0.71 KEAP1 (0.39) KEAP1NFE2L2
SCHEMBL21103067 0.70 EPHX2 (0.35)
SCHEMBL28625366 0.68 MGLL (0.40)
SCHEMBL21907929 0.66 GAA (0.31)
SCHEMBL8676534 0.66 GAA (0.31)

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
CN-110088233-B Effective curing agents for free-radical crosslinkable polymers 阿科玛股份有限公司 2021-09-21 CN disclosed