SCHEMBL3667719

SCHEMBL3667719

COc1ccccc1-c1c[nH]c(=O)c(-c2ccccc2C#N)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
FASN P49327 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MCL1 Q07820 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
GALR3 O60755 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CHEK1 O14757 1/20 0.38
KCNN4 O15554 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3976737 0.86 MCL1 (0.44) HTTFASNKDM4EALDH1A1MCL1
SCHEMBL3681528 0.81 MCL1 (0.46) FASNKDM4EALDH1A1MCL1HPGD
SCHEMBL2921713 0.80 SLC6A2 (0.41) HTTFASNKDM4EALDH1A1MCL1
SCHEMBL6689989 0.79 KDM4E (0.43) HTTFASNKDM4EALDH1A1HPGD
SCHEMBL6695728 0.78 MCL1 (0.45) FASNKDM4EALDH1A1MCL1HPGD
SCHEMBL3672842 0.77 ALDH1A1 (0.40) KDM4EALDH1A1MCL1HPGDGAA
SCHEMBL3672345 0.76 KDM4E (0.43) KDM4EALDH1A1MCL1HPGDGAA
Water SCHEMBL4777584 0.76 GRIA1 (0.47) HTTKDM4EALDH1A1MCL1HPGD
SCHEMBL6695575 0.76 KDM4E (0.51) KDM4EALDH1A1MCL1HPGDGAA
SCHEMBL2918049 0.76 GRIA1 (0.47) HTTKDM4EALDH1A1MCL1HPGD

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 7 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-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-2008111590-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-18 WO disclosed