SCHEMBL23395752

SCHEMBL23395752

C=C(/C=C/c1ccc(C#N)cc1)OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ P4HB P07237 4/20 0.46
▸ HTT P42858 1/20 0.43
▸ SNCA P37840 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAOB P27338 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ FBP1 P09467 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ACHE P22303 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
SCHEMBL7102981 0.79 CA12 (0.64) HDAC2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL7102972 0.79 CA12 (0.64) HDAC2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL1910479 0.77 ALDH1A1 (0.48) HDAC2ALDH1A1MAPTLMNAGAA
SCHEMBL13177035 0.76 ALDH1A1 (0.51) HDAC2ALDH1A1MAPTLMNAMAOB
SCHEMBL13114501 0.76 HDAC2 (0.68) HDAC2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL10995556 0.74 GSK3B (0.55) HDAC2ALDH1A1MAPTLMNAL3MBTL1
Oxirane SCHEMBL28643072 0.73 CA12 (0.55) HDAC2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL1342975 0.73 MAPT (0.60) HDAC2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL1342977 0.73 MAPT (0.60) HDAC2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL20244293 0.72 MAPT (0.69) HDAC2ALDH1A1MAPTLMNAL3MBTL1

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
EP-3825409-A1 COMPOUND FOR REGULATING GENE EDITING EFFICIENCY AND APPLICATION THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-26 — — EP disclosed
US-9533974-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates MICHIGAN DIAGNOSTICS, LLC (US) 2017-01-03 — — US disclosed
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