SCHEMBL10871024

SCHEMBL10871024

COc1cccc2c(N)c3c(nc12)CCCC3=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TNKS O95271 5/20 0.43
▸ TNKS2 Q9H2K2 5/20 0.43
▸ PARP1 P09874 3/20 0.43
▸ ACHE P22303 4/20 0.42
▸ PARP2 Q9UGN5 2/20 0.40
▸ TUBB3 Q13509 2/20 0.39
▸ BCHE P06276 2/20 0.39
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2A Q12879 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MCHR1 Q99705 1/20 0.38

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
SCHEMBL28984974 0.81 ACHE (0.66) KDM4EALDH1A1MAPTNPSR1ACHE
SCHEMBL28984969 0.80 KDM4E (0.53) KDM4EALDH1A1MAPTNPSR1ACHE
SCHEMBL8781758 0.80 KDM4E (0.50) KDM4EALDH1A1MAPTPARP1ACHE
SCHEMBL12043413 0.79 ACHE (0.65) KDM4EALDH1A1ACHEBCHEGRIN1
SCHEMBL4495989 0.74 KDM4E (0.82) KDM4EALDH1A1ACHEBCHEGRIN1
SCHEMBL23537370 0.72 ALDH1A1 (0.49) KDM4EALDH1A1MAPTNPSR1ACHE
Hydrochloric Acid SCHEMBL8984092 0.72 KDM4E (0.80) KDM4EALDH1A1MAPTACHEBCHE
SCHEMBL29824468 0.72 ALDH1A1 (0.49) KDM4EALDH1A1MAPTNPSR1ACHE
SCHEMBL8785150 0.72 ACHE (0.64) KDM4EALDH1A1MAPTACHEBCHE
SCHEMBL10848798 0.72 ACHE (0.67) KDM4EALDH1A1MAPTACHEBCHE

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-115947686-B 9-Amino-3, 4-dihydro-acridine-1 (2H) -ketone compound and application thereof 浙江工业大学 2024-11-12 — — CN disclosed
CN-115947686-A 9-amino-3, 4-dihydroacridine-1 (2H) -ketone compound and application thereof 浙江工业大学 2023-04-11 — — CN disclosed
EP-0179383-A2 9-Amino-1,2,3,4-tetrahydroacridin-1-ol and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-04-30 — — EP disclosed
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