SCHEMBL3666760

SCHEMBL3666760

N#Cc1ccccc1-c1c(-c2ccccc2)c(-c2cccc(Br)n2)c[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
GALR3 O60755 1/20 0.36
GAA P10253 1/20 0.36
KDM5A P29375 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GRM5 P41594 1/20 0.36
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
MDM2 Q00987 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 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
SCHEMBL3677714 0.88 TGFBR1 (0.42) MCL1KDM4EALDH1A1HPGDGALR3
SCHEMBL2921713 0.87 SLC6A2 (0.41) MCL1KDM4EALDH1A1HPGDGALR3
SCHEMBL2918049 0.84 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDGALR3
Water SCHEMBL4777584 0.84 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDGALR3
SCHEMBL6693263 0.81 MCL1 (0.40) MCL1KDM4EALDH1A1HPGDGALR3
SCHEMBL4379558 0.81 ADORA2A (0.36) MCL1KDM4EALDH1A1HPGDGALR3
SCHEMBL3802043 0.80 LRRK2 (0.45)
SCHEMBL6686812 0.79 GRIA1 (0.47) MCL1KDM4EALDH1A1HPGDGALR3
SCHEMBL6695728 0.79 MCL1 (0.45) MCL1KDM4EALDH1A1HPGDGALR3
SCHEMBL3672706 0.78 KDM4E (0.40) MCL1KDM4EALDH1A1HPGDGALR3

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 5 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-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