SCHEMBL25721116

SCHEMBL25721116

COc1ccc2[nH]c(=O)c(/C=C/c3ccc(N(C)C)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.53
▸ KMT2A Q03164 8/20 0.53
▸ TLR9 Q9NR96 2/20 0.53
▸ APP P05067 2/20 0.47
▸ MAPT P10636 7/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAOA P21397 3/20 0.45
▸ MAOB P27338 3/20 0.45
▸ TUBB4A P04350 2/20 0.45
▸ TUBB P07437 2/20 0.45
▸ TUBA3C P0DPH7 2/20 0.45
▸ TUBA1B P68363 2/20 0.45
▸ TUBA4A P68366 2/20 0.45
▸ TUBB4B P68371 2/20 0.45

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
SCHEMBL25721073 0.84 NPC1 (0.60) MEN1KMT2AAPPMAPTNPC1
SCHEMBL24701466 0.81 RAB9A (0.72) MEN1KMT2ATLR9APPMAPT
SCHEMBL28472852 0.80 NPC1 (0.52) MEN1KMT2AAPPMAPTNPC1
SCHEMBL28899811 0.78 NPC1 (0.52) MEN1KMT2ATLR9MAPTNPC1
SCHEMBL25721218 0.78 KMT2A (0.48) MEN1KMT2ATLR9MAPTNPC1
SCHEMBL14467557 0.73 APP (0.68) MEN1KMT2ATLR9APPMAPT
SCHEMBL6368607 0.71 MAOB (0.66) APPMAPTMAOBTUBB4ATUBB
SCHEMBL5494948 0.71 MAOB (0.66) APPMAPTMAOBTUBB4ATUBB
SCHEMBL28473457 0.70 MEN1 (0.50) MEN1KMT2ATLR9MAPTNPC1
SCHEMBL30695515 0.70 ALDH1A1 (0.58) MEN1KMT2ATLR9MAPTNPC1

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
WO-2023104148-A1 SMALL MOLECULE PROBE BINDING TO α-SYNUCLEIN AGGREGATE AND APPLICATION THEREOF 复旦大学 2023-06-15 — — WO disclosed
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