SCHEMBL31620909

SCHEMBL31620909

COc1ccc2c(c1)N(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ MAPT P10636 11/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 9/20 0.43
▸ LMNA P02545 7/20 0.43
▸ GAA P10253 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42

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
SCHEMBL31620871 0.90 ALDH1A1 (0.52) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL31620933 0.90 ALDH1A1 (0.52) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL31620900 0.87 GPR183 (0.46) KMT2ANPC1RAB9AALDH1A1LMNA
SCHEMBL31620866 0.84 ALDH1A1 (0.44) MAPTTDP1NPC1RAB9AALDH1A1
SCHEMBL31620932 0.84 ALDH1A1 (0.51) MAPTTDP1KMT2AALDH1A1LMNA
SCHEMBL31620877 0.84 MAOB (0.46) MAOAMAOBMAPTTDP1ALDH1A1
SCHEMBL31620943 0.83 ALDH1A1 (0.47) MAOBMAPTTDP1ALDH1A1LMNA
SCHEMBL31620904 0.82 ALDH1A1 (0.52) MAPTTDP1KMT2ANPC1RAB9A
SCHEMBL31620906 0.82 ALDH1A1 (0.52) MAPTTDP1KMT2ANPC1RAB9A
SCHEMBL31620896 0.81 GPR183 (0.53) MAPTTDP1NPC1RAB9AALDH1A1

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-120136796-A Alpha, beta unsaturated ketone derivative and preparation method and application thereof 河南大学 2025-06-13 — — CN disclosed
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