SCHEMBL20843280

SCHEMBL20843280

C/N=C1\C(=O)C(C(=O)O)=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ LMNA P02545 2/20 0.38
▸ CDC25A P30304 1/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 3/20 0.35
▸ TTR P02766 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PTPRC P08575 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ EDNRB P24530 1/20 0.33

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
SCHEMBL7354968 0.81 MAOA (0.50) MAOAMAOBLMNACDC25ACDC25B
SCHEMBL28211937 0.79 MAOA (0.49) MAOAMAOBLMNACDC25ACDC25B
SCHEMBL21436312 0.79 MEN1 (0.48) MAOAMAOBLMNACDC25BKMT2A
SCHEMBL503745 0.74 MAOA (0.50) MAOAMAOBLMNAKMT2APOLB
SCHEMBL30895284 0.74 MAOA (0.50) MAOAMAOBLMNAKMT2APOLB
SCHEMBL15113004 0.73 MAPT (0.47) LMNAKMT2APOLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL26614007 0.73 MAOA (0.48) MAOAMAOBLMNAKMT2APOLB
Ethylene SCHEMBL28442445 0.71 MAOA (0.47) MAOAMAOBLMNAKMT2APOLB
Ethylene Glycol SCHEMBL8419054 0.68 MAOA (0.49) MAOAMAOBLMNAKMT2AALDH1A1
SCHEMBL30645249 0.68 CDC25B (0.47) MAOAMAOBLMNACDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3459520-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2019-03-27 — — EP disclosed
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