SCHEMBL28814441

SCHEMBL28814441

CNNc1ccccc1C/C=C/CO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ TAAR1 Q96RJ0 2/20 0.30

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
SCHEMBL28407272 0.86 AR (0.36) GAAL3MBTL1CA12CA2CA9
SCHEMBL28401479 0.86 AR (0.36) GAAL3MBTL1CA12CA2CA9
SCHEMBL7066924 0.74 GAA (0.38) GAAL3MBTL1CA12CA2CA9
SCHEMBL9386168 0.72 TAAR1 (0.47) GAATAAR1
SCHEMBL10984027 0.72 TAAR1 (0.47) GAATAAR1
SCHEMBL8776647 0.72 GABRA1 (0.41) GAAL3MBTL1
SCHEMBL29278713 0.72 TAAR1 (0.47) TAAR1
SCHEMBL20623247 0.70 CA12 (0.32) CA12CA2CA9
SCHEMBL21486443 0.70 PNMT (0.41) GAATAAR1
SCHEMBL11313250 0.70 HSPA5 (0.50) L3MBTL1CA12CA2CA9TAAR1

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-111217724-B Ortho-alkylated electron-rich arylamine and preparation method and application thereof 广东工业大学 2022-08-12 — — CN disclosed
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