SCHEMBL4945968

SCHEMBL4945968

COC(=O)c1cccc2c1Sc1ccccc1N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
GAA P10253 6/20 0.46
NOX1 Q9Y5S8 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
ALOX15 P16050 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
SNCA P37840 2/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
BCHE P06276 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ALOX12 P18054 1/20 0.46
MAOA P21397 1/20 0.46
CNR1 P21554 1/20 0.46
ACHE P22303 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 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
SCHEMBL5320266 0.85 GAA (0.61) GAANOX1MEN1MAPTKMT2A
SCHEMBL20594004 0.81 NOX1 (0.52) ALOX5GAANOX1MEN1MAPT
SCHEMBL9511389 0.80 KDM4E (0.50) GAAMEN1MAPTKMT2AALOX15
SCHEMBL24068207 0.73 TRPA1 (0.49) GAAMEN1MAPTKMT2AALOX15
SCHEMBL9495694 0.73 ALOX5 (0.51) ALOX5GAAMAPTKMT2AALOX15
SCHEMBL9398206 0.73 NOX1 (0.53) GAANOX1MEN1MAPTKMT2A
SCHEMBL2343177 0.72 ALDH1A1 (0.52) ALOX5MEN1MAPTKMT2AALOX15
Phenothiazine SCHEMBL28704963 0.71 NOX1 (0.81) GAANOX1MEN1MAPTKMT2A
SCHEMBL2763448 0.71 NOX1 (0.59) ALOX5GAANOX1MEN1MAPT
SCHEMBL7235228 0.71 NOX1 (0.59) GAANOX1MEN1MAPTKMT2A

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-1883987-A1 SUBSTITUTED PHENOTHIAZINE REDOX SHUTTLES FOR RECHARGEABLE LITHIUM-ION CELL 3M Innovative Properties Company (US) 2008-02-06 EP disclosed
WO-2006124738-A1 SUBSTITUTED PHENOTHIAZINE REDOX SHUTTLES FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-11-23 WO disclosed