SCHEMBL628325

SCHEMBL628325

CN1c2ccccc2Sc2c(C(=O)O)cccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.55
▸ NOX1 Q9Y5S8 5/20 0.49
▸ LMNA P02545 4/20 0.49
▸ MAPT P10636 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ BCHE P06276 4/20 0.44

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
SCHEMBL30184237 0.81 MAPT (0.50) LMNAMAPTTDP1GAAMEN1
SCHEMBL179779 0.81 MAPT (0.50) LMNAMAPTTDP1GAAMEN1
SCHEMBL6262710 0.79 MEN1 (0.71) LMNAMAPTGAAMEN1KMT2A
SCHEMBL6262716 0.79 GAA (0.42) NOX1LMNAMAPTGAAKMT2A
SCHEMBL628362 0.75 MAOA (0.64) MAOANOX1LMNAMAPTL3MBTL1
SCHEMBL2762894 0.74 ALDH1A1 (0.50) LMNAMAPTL3MBTL1GAAKMT2A
SCHEMBL30944663 0.74 ALDH1A1 (0.50) LMNAMAPTL3MBTL1GAAKMT2A
Thianthrene SCHEMBL30108387 0.74 ALDH1A1 (0.50) LMNAMAPTL3MBTL1GAAKMT2A
SCHEMBL7072232 0.73 MAOA (0.62) MAOANOX1LMNAMAPTL3MBTL1
SCHEMBL7392294 0.73 MAOA (0.56) MAOANOX1LMNAMAPTL3MBTL1

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 6 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 claimed
US-20060263697-A1 Substituted phenothiazine redox shuttles for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY 2006-11-23 — — US claimed
WO-2006124738-A1 SUBSTITUTED PHENOTHIAZINE REDOX SHUTTLES FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-11-23 — — WO claimed
EP-1883987-B1 SUBSTITUTED PHENOTHIAZINE REDOX SHUTTLES FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES CO (US) 2012-02-22 — — EP disclosed
US-7615312-B2 Electrolytic cells; phenothiazine compound has oxidation potential above positive electrode recharged potential and serves as cyclable redox chemical shuttle providing cell overcharge protection 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-11-10 — — US disclosed
US-20060263697-A1 Substituted phenothiazine redox shuttles for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY 2006-11-23 — — US disclosed
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