SCHEMBL5094006

SCHEMBL5094006

NC(=O)C(O)CC(=O)Nc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.56
▸ KMT2A Q03164 6/20 0.45
▸ GAA P10253 5/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ TP53 P04637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL27713876 0.78 POLB (0.59) KDM1AKMT2AGAAMEN1LMNA
SCHEMBL4747178 0.78 KDM1A (0.54) KDM1AGAALMNAHTTMAPT
SCHEMBL17993533 0.78 KDM1A (0.70) KDM1AKMT2AGAAMEN1NPC1
SCHEMBL5093996 0.77 GAA (0.53) KDM1AKMT2AGAAMEN1NPC1
SCHEMBL13416408 0.77 KDM1A (0.68) KDM1AKMT2AGAAMEN1NPC1
SCHEMBL968912 0.75 CA1 (0.64) KDM1AKMT2AGAAMEN1NPC1
SCHEMBL29807803 0.74 GAA (0.61) KDM1AKMT2AGAAMEN1NPC1
SCHEMBL3859948 0.74 GAA (0.61) KDM1AKMT2AGAAMEN1NPC1
SCHEMBL3223491 0.74 KDM1A (0.60) KDM1AKMT2AGAAMEN1NPC1
SCHEMBL10955276 0.73 KDM1A (0.59) KDM1AKMT2AGAAMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008508348-A — — 2008-03-21 — — JP claimed
EP-1796681-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF Genmedica Therapeutics SL (ES) 2007-06-20 — — EP claimed
WO-2006013209-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF GENMEDICA THERAPEUTICS SL (ES) 2006-02-09 — — WO claimed
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