SCHEMBL3665537

SCHEMBL3665537

N#Cc1sccc1-c1c(-c2ccccc2)c(-c2ccccn2)c[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
ATM Q13315 1/20 0.35
KRAS P01116 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MCL1 Q07820 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
SLC11A2 P49281 1/20 0.34
SCN9A Q15858 2/20 0.34
GRIA1 P42261 1/20 0.33
GRIA3 P42263 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.33
HCRTR1 O43613 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 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
SCHEMBL2926370 0.96 SMN1; SMN2 (0.35) SMN1; SMN2HTTATMKRASALDH1A1
SCHEMBL2923277 0.82 HTT (0.36) SMN1; SMN2HTTATMKRASALDH1A1
SCHEMBL2918049 0.82 GRIA1 (0.47) SMN1; SMN2HTTATMALDH1A1MCL1
Water SCHEMBL4777584 0.82 GRIA1 (0.47) SMN1; SMN2HTTATMALDH1A1MCL1
SCHEMBL3668802 0.81 PRMT5 (0.38) SMN1; SMN2HTTATMALDH1A1MCL1
SCHEMBL3667468 0.81 PARP1 (0.45) SMN1; SMN2HTTATMALDH1A1KDM4E
SCHEMBL6686812 0.77 GRIA1 (0.47) SMN1; SMN2HTTATMALDH1A1MCL1
SCHEMBL3665777 0.76 CCNE1 (0.40) SMN1; SMN2HTTATMALDH1A1KDM4E
SCHEMBL3667347 0.76 MAPK14 (0.42) SMN1; SMN2HTTATMALDH1A1KDM4E
SCHEMBL6679862 0.75 SMN1; SMN2 (0.44) SMN1; SMN2HTTATMALDH1A1KDM4E

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-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-2164487-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE 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-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-2009011411-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE 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