SCHEMBL9053947

SCHEMBL9053947

CCN(CCCCCCN1C(=O)C(=O)c2ccccc21)Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.76
BCHE P06276 2/20 0.76
ACHE P22303 2/20 0.76
CES1 P23141 2/20 0.62
CDC25A P30304 1/20 0.62
ALDH1A1 P00352 2/20 0.60
ALDH2 P05091 2/20 0.60
ALDH3A1 P30838 2/20 0.60
PKM P14618 1/20 0.59

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
SCHEMBL6280891 0.99 MAOB (0.75) MAOBBCHEACHECES1CDC25A
SCHEMBL9062737 0.87 MAOB (0.64) MAOBBCHEACHECES1CDC25A
SCHEMBL9053218 0.85 MAOB (0.63) MAOBBCHEACHEALDH1A1ALDH2
SCHEMBL9051412 0.85 PARK7 (0.63) MAOBBCHEACHE
SCHEMBL9054162 0.82 MAOB (0.57) MAOBBCHEACHECES1CDC25A
SCHEMBL4503347 0.81 MAOB (0.56) MAOBBCHEACHECES1CDC25A
SCHEMBL21084263 0.81 MAOB (1.00) MAOBBCHEACHE
SCHEMBL9050379 0.80 MAOB (0.55) MAOBBCHEACHEALDH1A1ALDH2
SCHEMBL25119255 0.79 CES1 (0.84) MAOBBCHEACHECES1CDC25A
SCHEMBL9063372 0.78 MAOB (0.63) MAOBBCHEACHE

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
EP-0703901-A1 1-SUBSTITUTED ISATIN AND OXINDOLE DERIVATIVES AS INHIBITORS OF ACETYLCHOLINESTERASE Astra Aktiebolag (SE) 1996-04-03 EP disclosed
WO-1994029272-A1 1-SUBSTITUTED ISATIN AND OXINDOLE DERIVATIVES AS INHIBITORS OF ACETYLCHOLINESTERASE ASTRA AKTIEBOLAG (SE) 1994-12-22 WO disclosed