SCHEMBL11036381

SCHEMBL11036381

O=C([O-])C1=Nc2ccccc2CC1=O.O=C([O-])C1=Nc2ccccc2CC1=O.[Pb+2]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
TRPA1 O75762 4/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PABPC1 P11940 1/20 0.33
BLM P54132 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
Potassium Ion SCHEMBL10910684 0.97 NOS3 (0.37) NOS3NOS1NOS2MAOAMAOB
SCHEMBL73322 0.97 NOS3 (0.37) NOS3NOS1NOS2MAOAMAOB
SCHEMBL2783069 0.95 NOS3 (0.36) NOS3NOS1NOS2MAOAMAOB
SCHEMBL11040814 0.94 MAOA (0.39) NOS3NOS1NOS2MAOAMAOB
SCHEMBL2866347 0.83 MAOA (0.45) NOS3NOS1NOS2MAOAMAOB
Hydrochlorthiazide SCHEMBL11016184 0.83
SCHEMBL7568554 0.80 TRPA1 (0.38) NOS3NOS1NOS2MAOAMAOB
SCHEMBL2778638 0.78 TRPA1 (0.48) NOS3NOS1NOS2TRPA1KDM4E
Hydrochloric Acid SCHEMBL11091871 0.75 NOS3 (0.40) NOS3NOS1NOS2MAOAMAOB
SCHEMBL4145325 0.73 NOS3 (0.42) NOS3NOS1NOS2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431553-A Lubricant composition containing metal oxyquinolinate AUTOIPARI KUTATO INTEZET (HU) 1984-02-14 US claimed
EP-2626405-B1 Lubricant composition NANOL TECHNOLOGIES OY AB (FI) 2015-05-27 EP disclosed
EP-2626405-A1 Lubricant composition Ab Nanol Technologies Oy (FI) 2013-08-14 EP disclosed
US-4431553-A Lubricant composition containing metal oxyquinolinate AUTOIPARI KUTATO INTEZET (HU) 1984-02-14 US disclosed
US-4431553-A Lubricant composition containing metal oxyquinolinate AUTOIPARI KUTATO INTEZET (HU) 1984-02-14 US disclosed