SCHEMBL5167871

SCHEMBL5167871

O=[N+]([O-])c1ccc2ccccc2c1NCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 5/20 0.51
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
SMARCA2 P51531 1/20 0.50
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.48
GLA P06280 1/20 0.48
RAD52 P43351 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PIK3CA P42336 1/20 0.48
MTOR P42345 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL5171342 0.88 ALDH1A1 (0.54) KMT2AMEN1MAPTKDM4ESMARCA2
SCHEMBL5171284 0.79 KDM4E (0.57) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL736708 0.79 MEN1 (0.55) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL737318 0.78 MEN1 (0.62) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL5172571 0.77 CYP1A2 (0.59) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL6528819 0.76 CYP2D6 (0.58) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL14842148 0.75 KMT2A (0.57) KMT2AMEN1MAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL31741333 0.75 MAPT (0.49) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL11604511 0.73 KDM4E (0.67) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL6526938 0.73 CYP2C19 (0.53) KMT2AMEN1MAPTKDM4ELMNA

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
WO-2007054836-A2 1, 2-SUBSTITUTED NAPHTHALENE DERIVATIVES WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2007-05-18 WO disclosed
WO-2007054836-A2 1, 2-SUBSTITUTED NAPHTHALENE DERIVATIVES WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2007-05-18 WO disclosed
EP-1777219-A1 1,2-Substituted naphthalene derivatives with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2007-04-25 EP disclosed