SCHEMBL5739618

SCHEMBL5739618

CC(=O)c1ccccc1Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
HPGD P15428 1/20 0.57
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 7/20 0.54
TDP1 Q9NUW8 2/20 0.54
ESR2 Q92731 1/20 0.54
MAPT P10636 4/20 0.52
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
AR P10275 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL10945158 0.87 L3MBTL1 (0.54) L3MBTL1HPGDKMT2APOLBMEN1
SCHEMBL9263396 0.85 ESR2 (0.62) L3MBTL1HPGDKMT2APOLBMEN1
SCHEMBL9853813 0.84 KMT2A (0.49) L3MBTL1HPGDKMT2APOLBMEN1
SCHEMBL2013294 0.84 KMT2A (0.55) L3MBTL1HPGDKMT2APOLBMEN1
SCHEMBL8076951 0.84 L3MBTL1 (0.62) L3MBTL1HPGDKMT2APOLBALDH1A1
SCHEMBL29550783 0.83 L3MBTL1 (0.56) L3MBTL1HPGDKMT2AMEN1ALDH1A1
SCHEMBL5708950 0.82 LMNA (0.60) L3MBTL1HPGDKMT2APOLBMEN1
SCHEMBL39472 0.82 HPGD (0.78) L3MBTL1HPGDKMT2APOLBMEN1
SCHEMBL12142560 0.81 MAPT (0.58) L3MBTL1HPGDKMT2APOLBMEN1
SCHEMBL29186599 0.81 ALDH1A1 (0.55) L3MBTL1HPGDKMT2AMEN1ALDH1A1

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-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 WO disclosed