SCHEMBL31326032

SCHEMBL31326032

COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 1.00
▸ MAOA P21397 7/20 1.00
▸ F3 P13726 2/20 0.75
▸ MAPT P10636 4/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ RAB9A P51151 2/20 0.68
▸ NPC1 O15118 2/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ XDH P47989 2/20 0.68
▸ BCHE P06276 1/20 0.68
▸ CYP1B1 Q16678 1/20 0.68
▸ P4HB P07237 1/20 0.68
▸ CALM1 P0DP23 1/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ KRAS P01116 2/20 0.67
▸ LMNA P02545 1/20 0.66

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
SCHEMBL10658787 1.00 MAOB (1.00) MAOBMAOAF3MAPTALDH1A1
SCHEMBL14435873 1.00 MAOB (1.00) MAOBMAOAF3MAPTALDH1A1
SCHEMBL10658782 1.00 MAOB (1.00) MAOBMAOAF3MAPTALDH1A1
SCHEMBL6733848 0.88 MAOB (0.85) MAOBMAOAMAPTALDH1A1BCHE
SCHEMBL6733854 0.88 MAOB (0.85) MAOBMAOAMAPTALDH1A1BCHE
SCHEMBL8160140 0.88 MAOB (0.78) MAOBMAOAF3MAPTALDH1A1
SCHEMBL14318106 0.88 MAOB (0.78) MAOBMAOAMAPTALDH1A1RAB9A
SCHEMBL7194437 0.88 MAOB (0.78) MAOBMAOAF3MAPTALDH1A1
SCHEMBL7194081 0.88 MAOB (0.78) MAOBMAOAF3MAPTALDH1A1
4,4'-Dimethoxychalcone SCHEMBL978243 0.87 F3 (1.00) MAOBMAOAF3MAPTALDH1A1

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
CN-119504491-A Efficient preparation method and application of optically pure beta-cyano ketone 哈尔滨理工大学 2025-02-25 — — CN claimed
CN-119504491-A Efficient preparation method and application of optically pure beta-cyano ketone 哈尔滨理工大学 2025-02-25 — — CN disclosed
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