SCHEMBL29384623

SCHEMBL29384623

[C-]#[N+]C(=CC=Cc1ccccc1)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ LMNA P02545 3/20 0.56
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ RAB9A P51151 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ POLB P06746 2/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ GRM4 Q14833 1/20 0.44
▸ HPGD P15428 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL30828078 0.85 L3MBTL1 (0.46) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL13209959 0.82 MEN1 (0.66) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL3681189 0.81 MEN1 (0.68) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL3681187 0.81 MEN1 (0.68) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL10394712 0.80 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL1034761 0.80 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL10395017 0.78 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL10395016 0.78 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL10394550 0.77 ALDH1A1 (0.66) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL11040616 0.77 MEN1 (0.62) ALDH1A1KDM4ELMNAMEN1KMT2A

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-114014838-B Compound and preparation method and application thereof 山东师范大学 2024-03-19 — — CN claimed
CN-114014838-A Compound and preparation method and application thereof 山东师范大学 2022-02-08 — — CN claimed
CN-114014838-B Compound and preparation method and application thereof 山东师范大学 2024-03-19 — — CN disclosed
CN-114014838-A Compound and preparation method and application thereof 山东师范大学 2022-02-08 — — CN disclosed
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