SCHEMBL29405329

SCHEMBL29405329

O=C1c2cccc3cc([N+](=O)[O-])c([N+](=O)[O-])c(c23)C(=O)N1CCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 2/20 0.56
▸ HEXB P07686 2/20 0.56
▸ PABPC1 P11940 3/20 0.49
▸ FTO Q9C0B1 2/20 0.49
▸ NTRK1 P04629 1/20 0.49
▸ NGFR P08138 1/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ POLB P06746 2/20 0.48

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
SCHEMBL28933540 1.00 HEXA (0.56) HEXAHEXBPABPC1FTONTRK1
SCHEMBL29405261 0.84 HEXA (0.63) HEXAHEXBPABPC1FTONTRK1
SCHEMBL28697572 0.84 HEXA (0.63) HEXAHEXBPABPC1FTONTRK1
SCHEMBL1901643 0.81 FTO (0.72) HEXAHEXBPABPC1FTONTRK1
SCHEMBL11306933 0.79 CA1 (0.60) HEXAHEXBMEN1KMT2AL3MBTL1
SCHEMBL29406244 0.78 HEXA (0.53) HEXAHEXBPABPC1MEN1KMT2A
SCHEMBL28685171 0.78 HEXA (0.53) HEXAHEXBPABPC1MEN1KMT2A
SCHEMBL29903439 0.75 MEN1 (0.68) HEXAHEXBPABPC1MEN1KMT2A
SCHEMBL8746249 0.75 HEXA (0.64) HEXAHEXBFTOMEN1KMT2A
SCHEMBL10261656 0.75 MEN1 (0.68) HEXAHEXBPABPC1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106341-B Comb copolymer, preparation method and application thereof 广州立邦涂料有限公司 2025-05-02 — — CN claimed
CN-114106341-A Comb copolymer and preparation method and application thereof 广州立邦涂料有限公司 2022-03-01 — — CN claimed
CN-114106341-B Comb copolymer, preparation method and application thereof 广州立邦涂料有限公司 2025-05-02 — — CN disclosed
CN-114106341-A Comb copolymer and preparation method and application thereof 广州立邦涂料有限公司 2022-03-01 — — CN disclosed
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