SCHEMBL5168397

SCHEMBL5168397

O=[N+]([O-])c1ccc2ccccc2c1N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.62
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 2/20 0.52
MAPT P10636 8/20 0.50
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
PKM P14618 2/20 0.48
PRKDC P78527 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.46
POLB P06746 1/20 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
SCHEMBL5167771 0.83 SIRT6 (0.52) CTSBSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL6601670 0.83 MAPT (0.51) CTSBLMNAMAPTALDH1A1CYP1A2
SCHEMBL4871412 0.77 CTSB (1.00) CTSBKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL5168060 0.74 KDM4E (0.48) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL17065812 0.74 PRKDC (0.46) KMT2AL3MBTL1LMNAMAPTALDH1A1
SCHEMBL3984049 0.74 CYP1A2 (0.54) CTSBKMT2AMEN1L3MBTL1LMNA
SCHEMBL31226524 0.74 CYP1A2 (0.54) CTSBKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL8095201 0.74 MAPT (0.50) CTSBKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL3723155 0.74 CYP1A2 (0.54) CTSBSMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL30457932 0.74 ALDH1A1 (0.63) CTSBKMT2ASMN1; SMN2MEN1L3MBTL1

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