SCHEMBL3676539

SCHEMBL3676539

N#Cc1ccccc1-c1c(-c2ccccc2)c(-c2ccsc2)c[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
LRRK2 Q5S007 1/20 0.41
CDK8 P49336 1/20 0.39
GALR3 O60755 1/20 0.38
GAA P10253 1/20 0.38
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
CNR2 P34972 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MDM2 Q00987 1/20 0.36
PARP1 P09874 1/20 0.35
PDE9A O76083 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNE1 P24864 1/20 0.34

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
SCHEMBL3672345 0.81 KDM4E (0.43) MCL1ALDH1A1KDM4EHPGDCDK8
SCHEMBL6693263 0.81 MCL1 (0.40) MCL1ALDH1A1KDM4EHPGDLRRK2
SCHEMBL3681528 0.79 MCL1 (0.46) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL6695728 0.78 MCL1 (0.45) MCL1ALDH1A1KDM4EHPGDLRRK2
SCHEMBL2921930 0.77 MCL1 (0.40) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL3665293 0.77 MCL1 (0.39) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL3667719 0.76 HTT (0.49) MCL1ALDH1A1KDM4EHPGDGALR3
SCHEMBL2918049 0.76 GRIA1 (0.47) MCL1ALDH1A1KDM4EHPGDLRRK2
SCHEMBL6695575 0.76 KDM4E (0.51) MCL1ALDH1A1KDM4EHPGDGALR3
Water SCHEMBL4777584 0.76 GRIA1 (0.47) MCL1ALDH1A1KDM4EHPGDLRRK2

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