SCHEMBL3676538

SCHEMBL3676538

N#Cc1ccccc1-c1cc(-c2ccsc2)cc(-n2ccccc2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.39
GLO1 Q04760 1/20 0.38
P2RX3 P56373 1/20 0.37
GRIA1 P42261 1/20 0.34
GRIA3 P42263 1/20 0.34
PDE4D Q08499 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP2A6 P11509 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2B6 P20813 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
GABRG2 P18507 5/20 0.32
GABRB3 P28472 5/20 0.32
GABRA1 P14867 4/20 0.32
GABRA2 P47869 4/20 0.32
GABRA5 P31644 3/20 0.32
GABRA3 P34903 3/20 0.32
ALOX5 P09917 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3672343 0.81 PIM1 (0.38) GRIA1GRIA3PDE4DESR2MAOB
SCHEMBL3681524 0.81 CYP11B1 (0.45) PTPRCGRIA1GRIA3PDE4DESR2
SCHEMBL2921927 0.80 GRIA1 (0.33) GRIA1GRIA3PDE4DESR2GABRG2
SCHEMBL3668910 0.79 GABRA1 (0.36) GRIA1GRIA3PDE4DESR2GABRG2
SCHEMBL3665295 0.78 ESR2 (0.36) GRIA1GRIA3PDE4DESR2GABRG2
SCHEMBL3667717 0.78 PGR (0.44) PTPRCMAOB
Water SCHEMBL4777578 0.77 GRIA1 (0.56) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL6695571 0.77 MEN1 (0.40) GRIA1GRIA3PDE4DESR2
SCHEMBL2918046 0.77 GRIA1 (0.56) GRIA1GRIA3PDE4DGABRG2GABRB3
SCHEMBL3976462 0.76 PIK3CG (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254577-A1 AMPA RECEPTOR ANTAGONISTS FOR EPILEPSY, MENTAL DISORDERS OR DEFICITS IN SENSORY ORGAN Eisai R&D Management Co., Ltd. (JP) 2010-12-01 EP disclosed
EP-2164488-A1 AMPA RECEPTOR ANTAGONISTS AND ALDOSE REDUCTASE INHIBITORS FOR NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2164489-A2 COMBINATION OF AMPA RECEPTOR ANTAGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2131828-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES Eisai R&D Management Co., Ltd. (JP) 2009-12-16 EP disclosed
WO-2009082039-A1 AMPA RECEPTOR ANTAGONISTS FOR EPILEPSY, MENTAL DISORDERS OR DEFICITS IN SENSORY ORGAN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-02 WO disclosed
WO-2009054544-A1 AMPA RECEPTOR ANTAGONISTS FOR PARKINSON'S DISEASE AND MOVEMENT DISORDERS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-04-30 WO disclosed
WO-2009011410-A1 AMPA RECEPTOR ANTAGONISTS AND ALDOSE REDUCTASE INHIBITORS FOR NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed
WO-2009011412-A2 COMBINATION OF AMPA RECEPTOR ANTAGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed
WO-2008111590-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-18 WO disclosed