SCHEMBL3673913

SCHEMBL3673913

N#Cc1ccccc1-c1ccc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 4/20 0.48
HPGD P15428 3/20 0.48
GALR3 O60755 1/20 0.48
MDM2 Q00987 1/20 0.47
GLA P06280 3/20 0.46
PIM1 P11309 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BIRC5 O15392 1/20 0.46
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MCL1 Q07820 3/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
ESR2 Q92731 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL4474609 0.83 MDM2 (0.62) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL9701575 0.80 MDM2 (0.59) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL6219007 0.73 ESR2 (0.60) KDM4EALDH1A1GAAHPGDGALR3
SCHEMBL9377105 0.73 KDM4E (0.50) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL565467 0.73 ESR2 (0.59) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL29977886 0.73 ESR2 (0.59) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL29662886 0.72 ESR2 (0.69) ATMKDM4EALDH1A1GAAHPGD
Water SCHEMBL3178714 0.72 ESR2 (0.69) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL223 0.72 ESR2 (0.69) ATMKDM4EALDH1A1GAAHPGD
SCHEMBL29412287 0.72 ESR2 (0.60) KDM4EALDH1A1HPGDMCL1ESR2

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-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-2009054543-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE 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-2008111590-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-18 WO disclosed