SCHEMBL29405560

SCHEMBL29405560

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PLCG2 P16885 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL28707383 1.00 HTT (0.47) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL28697568 0.93 ALDH1A1 (0.46) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL29404940 0.93 ALDH1A1 (0.46) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL4275851 0.80 POLB (0.52) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL29402417 0.73 ALDH1A1 (0.42) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL28691276 0.73 ALDH1A1 (0.42) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL29405418 0.70 NPC1 (0.43) HTTALDH1A1KMT2AL3MBTL1HPGD
SCHEMBL28701186 0.70 NPC1 (0.43) HTTALDH1A1KMT2AL3MBTL1HPGD
SCHEMBL28701181 0.70 KMT2A (0.49) HTTALDH1A1MEN1KMT2AHPGD
SCHEMBL6887385 0.69 CDK1 (0.44) HTTALDH1A1POLBNPC1RAB9A

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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