SCHEMBL29264530

SCHEMBL29264530

O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.69
▸ KMT2A Q03164 13/20 0.69
▸ MEN1 O00255 11/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ POLB P06746 2/20 0.66
▸ PSMD14 O00487 2/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ HTT P42858 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.59
▸ HTR1E P28566 1/20 0.58
▸ S1PR3 Q99500 1/20 0.58
▸ PHGDH O43175 2/20 0.57
▸ CRHBP P24387 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ PKM P14618 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HPGD P15428 1/20 0.54

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
SCHEMBL16063996 0.85 MAPT (0.76) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL13497044 0.83 MAPT (0.73) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL13497045 0.80 MAPT (0.71) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL13497040 0.79 MAPT (0.83) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL29264529 0.79 MAPT (1.00) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL30307761 0.79 MAPT (1.00) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL29264533 0.78 MAPT (0.68) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL12417172 0.78 MAPT (1.00) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL13497043 0.77 MAPT (0.67) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL30307769 0.77 MAPT (0.66) MAPTKMT2AMEN1MAPK1POLB

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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