SCHEMBL30307761

SCHEMBL30307761

O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 17/20 1.00
▸ POLB P06746 5/20 1.00
▸ PSMD14 O00487 1/20 1.00
▸ ALDH1A1 P00352 4/20 0.71
▸ APAF1 O14727 1/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ LDHA P00338 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ GAA P10253 2/20 0.66
▸ MEN1 O00255 8/20 0.64
▸ KMT2A Q03164 8/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ RECQL P46063 1/20 0.63
▸ MCL1 Q07820 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60

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
SCHEMBL29264529 1.00 MAPT (1.00) MAPTPOLBPSMD14ALDH1A1APAF1
SCHEMBL29264536 0.84 MAPT (0.73) MAPTPOLBPSMD14ALDH1A1L3MBTL1
SCHEMBL13497045 0.83 MAPT (0.71) MAPTPOLBPSMD14ALDH1A1L3MBTL1
SCHEMBL16063996 0.81 MAPT (0.76) MAPTPOLBPSMD14ALDH1A1L3MBTL1
SCHEMBL6721166 0.80 MAPT (1.00) MAPTPOLBPSMD14ALDH1A1APAF1
SCHEMBL13497044 0.80 MAPT (0.73) MAPTPOLBPSMD14ALDH1A1L3MBTL1
SCHEMBL29264530 0.79 MAPT (0.69) MAPTPOLBPSMD14ALDH1A1L3MBTL1
SCHEMBL30307755 0.79 MAPT (0.79) MAPTPOLBPSMD14ALDH1A1L3MBTL1
SCHEMBL13496985 0.79 MAPT (0.80) MAPTPOLBPSMD14ALDH1A1APAF1
SCHEMBL18153643 0.79 MAPT (0.80) MAPTPOLBPSMD14ALDH1A1APAF1

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-115819414-A N-acyl-containing aryl hydrazone derivatives, and preparation method and application thereof 沈阳药科大学 2023-03-21 — — CN claimed
CN-115819414-B N-acyl-containing aryl hydrazone derivative and preparation method and application thereof 沈阳药科大学 2024-06-28 — — CN disclosed
CN-115819414-A N-acyl-containing aryl hydrazone derivatives, and preparation method and application thereof 沈阳药科大学 2023-03-21 — — CN disclosed
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