SCHEMBL28686607

SCHEMBL28686607

O=C=NC(CCCN=C=S)N=C=S

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.36
NAAA Q02083 1/20 0.36
KEAP1 Q14145 4/20 0.36
NFE2L2 Q16236 4/20 0.36
BACH1 O14867 2/20 0.36
MAFK O60675 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
EGFR P00533 1/20 0.36
PTGS2 P35354 1/20 0.36
TRPA1 O75762 8/20 0.35
GSK3B P49841 1/20 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
SCHEMBL29187511 0.81
SCHEMBL4621487 0.78 TRPA1 (0.35) NAAATRPA1
SCHEMBL4440202 0.78 TRPA1 (0.35) NAAATRPA1
SCHEMBL19971187 0.75
SCHEMBL25210136 0.74
SCHEMBL483528 0.74
SCHEMBL150716 0.74
SCHEMBL16933733 0.74
SCHEMBL7202533 0.74
SCHEMBL9460682 0.73

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
CN-114008830-B Nonaqueous electrolyte for power storage device and power storage device using same 株式会社大阪曹达 2024-07-02 CN disclosed
CN-114008830-A Nonaqueous electrolyte solution for electricity storage device and electricity storage device using same 株式会社大阪曹达 2022-02-01 CN disclosed