SCHEMBL3665293

SCHEMBL3665293

N#Cc1ccccc1-c1c(-c2ccccc2)c(-c2ccsc2CO)c[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
GALR3 O60755 1/20 0.37
GAA P10253 1/20 0.37
BIRC5 O15392 1/20 0.36
PIM1 P11309 1/20 0.36
ATM Q13315 1/20 0.35
MDM2 Q00987 1/20 0.35
PARP1 P09874 1/20 0.35
ESR2 Q92731 1/20 0.34
FASN P49327 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
HSD11B1 P28845 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE9A O76083 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
SCHEMBL2763451 0.85 MCL1 (0.36) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL2921930 0.82 MCL1 (0.40) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL3672345 0.79 KDM4E (0.43) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL3671759 0.77 MCL1 (0.40) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL3681528 0.77 MCL1 (0.46) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL3676539 0.77 MCL1 (0.43) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL3667719 0.74 HTT (0.49) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL5992119 0.74 MCL1 (0.43) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL6695728 0.74 MCL1 (0.45) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL3667255 0.73 PIM1 (0.41) MCL1ALDH1A1KDM4EHPGDGALR3

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-2009011411-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 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