SCHEMBL29404940

SCHEMBL29404940

O=C(NCCO)c1cccc2ccc([N+](=O)[O-])c(C(=O)O)c12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ PLCG2 P16885 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL28697568 1.00 ALDH1A1 (0.46) ALDH1A1POLBKDM4EMAPTCASP1
SCHEMBL28707383 0.93 HTT (0.47) ALDH1A1POLBKDM4EL3MBTL1TDP1
SCHEMBL29405560 0.93 HTT (0.47) ALDH1A1POLBKDM4EL3MBTL1TDP1
SCHEMBL4275851 0.82 POLB (0.52) ALDH1A1POLBKDM4EMAPTL3MBTL1
SCHEMBL29402417 0.80 ALDH1A1 (0.42) ALDH1A1POLBKDM4EMAPTL3MBTL1
SCHEMBL28691276 0.80 ALDH1A1 (0.42) ALDH1A1POLBKDM4EMAPTL3MBTL1
SCHEMBL28701186 0.77 NPC1 (0.43) ALDH1A1L3MBTL1KMT2AHPGDNPC1
SCHEMBL29405418 0.77 NPC1 (0.43) ALDH1A1L3MBTL1KMT2AHPGDNPC1
SCHEMBL29402419 0.76 KMT2A (0.49) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL28701181 0.76 KMT2A (0.49) ALDH1A1KDM4EMAPTCASP1CASP7

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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