SCHEMBL30278785

SCHEMBL30278785

N=C1N=Cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.35
S100A4 P26447 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
SCHEMBL2080521 1.00 TRPA1 (0.35) TRPA1S100A4
SCHEMBL15478717 0.72 TRPA1 (0.37) TRPA1
SCHEMBL113314 0.70 GSK3B (0.40) TRPA1S100A4
SCHEMBL29394879 0.70 GSK3B (0.40) TRPA1S100A4
SCHEMBL8366671 0.70 TRPA1 (0.35) TRPA1
SCHEMBL28745788 0.70 TRPA1 (0.32) TRPA1
SCHEMBL7756581 0.69 MAOA (0.33)
Hydrochloric Acid SCHEMBL20475155 0.68 GSK3B (0.39) TRPA1S100A4
SCHEMBL8581486 0.67 MEN1 (0.45) TRPA1S100A4
SCHEMBL5051718 0.65 TRPA1 (0.32) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702709-A Isoindolylidine pyridine hydrazine diboron fluorescent dye and preparation method and application thereof 安徽师范大学 2024-09-27 CN disclosed
CN-110914253-B Isoindolone-imide ring-1,3-diketone-2-alkene compounds, and composition and application thereof 微境生物医药科技(上海)有限公司 2022-12-16 CN disclosed
CN-110914253-B Isoindolone-imide ring-1,3-diketone-2-alkene compounds, and composition and application thereof 微境生物医药科技(上海)有限公司 2022-12-16 CN disclosed