SCHEMBL3667255

SCHEMBL3667255

N#Cc1ccccc1-c1c(-c2ccccc2)c(-c2ncccc2O)c[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.41
BIRC5 O15392 1/20 0.41
MCL1 Q07820 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
LRRK2 Q5S007 2/20 0.39
GALR3 O60755 1/20 0.38
GAA P10253 1/20 0.38
ESR2 Q92731 1/20 0.37
GRM5 P41594 1/20 0.37
FASN P49327 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
PARP1 P09874 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6695728 0.84 MCL1 (0.45) MCL1KDM4EALDH1A1HPGDLRRK2
Water SCHEMBL4777584 0.82 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDLRRK2
SCHEMBL2918049 0.82 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDLRRK2
SCHEMBL1882884 0.81 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDLRRK2
SCHEMBL6698453 0.78 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDLRRK2
SCHEMBL6674535 0.78 ESR2 (0.40) PIM1BIRC5MCL1KDM4EALDH1A1
SCHEMBL6686812 0.77 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDLRRK2
SCHEMBL6680176 0.76 LRRK2 (0.44) PIM1MCL1KDM4EALDH1A1HPGD
SCHEMBL3681528 0.76 MCL1 (0.46) MCL1KDM4EALDH1A1HPGDGALR3
SCHEMBL6674302 0.75 MCL1 (0.39) MCL1KDM4EALDH1A1HPGDLRRK2

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 8 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-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
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
EP-1871368-A2 DIHYDROPYRIDINE COMPOUNDS FOR NEURODEGENERATIVE DISEASES AND DEMENTIA Eisai Co., Ltd. (JP) 2008-01-02 EP disclosed
WO-2006107859-A2 DIHYDROPYRIDINE COMPOUNDS FOR NEURODEGENERATIVE DISEASES AND DEMENTIA EISAI CO., LTD. (JP) 2006-10-12 WO disclosed
EP-1465626-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES Eisai Co., Ltd. (JP) 2004-10-13 EP disclosed
WO-2003047577-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIHYDROPYRIDINONE COMPOUNDS AND AN IMMUNOREGULATORY OR AN ANTIINFLAMMATORY AGENT AND THEIR USES EISAI CO LTD (JP) 2003-06-12 WO disclosed