SCHEMBL29110788

SCHEMBL29110788

O=[N+]([O-])c1ccc(-c2cc(Cc3ccccc3)[nH]n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CYP11B1 P15538 1/20 0.49
▸ CYP11B2 P19099 1/20 0.49
▸ PSD A5PKW4 6/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ COMT P21964 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ SLC27A2 O14975 1/20 0.45
▸ RIPK1 Q13546 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL28172139 0.95 CYP11B1 (0.52) MAPTMEN1KMT2ANPC1POLB
SCHEMBL28171521 0.82 CYP11B1 (0.66) POLBRAB9ACYP11B1CYP11B2HCAR2
SCHEMBL9975998 0.77 RAB9A (0.76) MAPTMEN1KMT2ANPC1POLB
SCHEMBL1249806 0.77 RAB9A (0.76) MAPTMEN1KMT2ANPC1POLB
SCHEMBL5096712 0.77 CYP11B1 (0.59) POLBRAB9ACYP11B1CYP11B2HCAR2
SCHEMBL28030908 0.76 CPA1 (0.46) MAPTMEN1KMT2ANPC1POLB
SCHEMBL25337392 0.76 MAPT (0.51) MAPTMEN1KMT2ANPC1POLB
SCHEMBL5103972 0.73 CYP2D6 (0.67) CYP11B1CYP11B2HCAR2COMTALDH1A1
SCHEMBL12490766 0.73 RAB9A (0.85) MAPTMEN1KMT2ANPC1POLB
SCHEMBL9267835 0.72 MAPT (0.60) MAPTMEN1KMT2ANPC1POLB

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-114621194-B 4-methylene-N-hydroxybenzoamide compound and application thereof 沈阳药科大学 2023-08-29 — — CN disclosed
CN-114621194-A 4-methylene-N-hydroxybenzamide compound and application thereof 沈阳药科大学 2022-06-14 — — CN disclosed
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