SCHEMBL28538710

SCHEMBL28538710

O=C=NCC1CCCCC1.O=C=NCCCCCCN=C=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 3/20 0.42
ALDH1A1 P00352 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL268784 0.88 ALDH1A1 (0.42) KEAP1NFE2L2ALDH1A1
SCHEMBL11412208 0.87 CYP1A2 (0.42) KEAP1NFE2L2ALDH1A1SIGMAR1
SCHEMBL4900668 0.87 KEAP1 (0.35) KEAP1NFE2L2
SCHEMBL3212686 0.86 KEAP1 (0.40) KEAP1NFE2L2ALDH1A1SIGMAR1
SCHEMBL2891590 0.85
SCHEMBL28528633 0.85 SIGMAR1 (0.48) KEAP1NFE2L2ALDH1A1SIGMAR1
SCHEMBL28521877 0.85 SIGMAR1 (0.48) KEAP1NFE2L2ALDH1A1SIGMAR1
SCHEMBL9088702 0.85 SIGMAR1 (0.48) KEAP1NFE2L2ALDH1A1SIGMAR1
SCHEMBL28555544 0.85 SIGMAR1 (0.48) KEAP1NFE2L2ALDH1A1SIGMAR1
SCHEMBL2310653 0.82 SIGMAR1 (0.45) KEAP1NFE2L2ALDH1A1SIGMAR1

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-108604071-B Toner for electrophotography 花王株式会社 2022-03-15 CN disclosed
CN-108139702-B Binder resin composition for toner 花王株式会社 2021-02-12 CN disclosed