SCHEMBL29044190

SCHEMBL29044190

NN=Cc1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.42
▸ ASIC1 P78348 2/20 0.36
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL10653282 0.79 ALOX5 (0.33) MAOBUSP2ALDH1A1MAPTMAPK1
SCHEMBL10653287 0.79 ALOX5 (0.33) MAOBUSP2ALDH1A1MAPTMAPK1
SCHEMBL16766999 0.78 LMNA (0.36) MAPTMAPK1
SCHEMBL25181319 0.76 ALDH1A1 (0.44) ALDH1A1MAPT
SCHEMBL7030925 0.76 DRD1 (0.39) ALDH1A1MAPT
SCHEMBL19757219 0.73 MAOB (0.64) MAOBASIC1ALDH1A1MAPTMAPK1
SCHEMBL3442252 0.72 METAP2 (0.50) ALDH1A1MAPT
SCHEMBL1926319 0.72 METAP2 (0.50) ALDH1A1MAPT
Cyanide SCHEMBL22130105 0.71 LMNA (0.51) MAOBASIC1MAPTMAPK1
Hydrochloric Acid SCHEMBL2671869 0.71 METAP2 (0.48) ALDH1A1MAPT

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-115232070-B Quinolinone alkaloid derivative containing acylhydrazone group on 1-position nitrogen atom, and preparation method and application thereof 太原理工大学 2023-06-30 — — CN disclosed
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