SCHEMBL2831908

SCHEMBL2831908

NC=CCn1c(=O)c(Cc2ccccc2)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.58
MMP9 P14780 5/20 0.58
MAOB P27338 5/20 0.58
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PDE4D Q08499 2/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
PTPN1 P18031 1/20 0.47
MLNR O43193 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46

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
SCHEMBL982499 0.81 MAPK1 (0.75) MAOAMMP9MAOBKDM4EALDH1A1
SCHEMBL979729 0.74 MAPK1 (0.68) MAOAMMP9MAOBKDM4EALDH1A1
SCHEMBL28490940 0.74 HDAC6 (0.63) MAOAMMP9MAOBKDM4EALDH1A1
SCHEMBL985091 0.73 MAPK1 (0.66) MAOAMMP9MAOBKDM4EALDH1A1
SCHEMBL2831902 0.71 MAOA (0.51) MAOAMMP9MAOBKDM4EALDH1A1
SCHEMBL13844736 0.69 KDM4E (0.73) MAOAMMP9MAOBKDM4EALDH1A1
SCHEMBL981898 0.67 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10PDE4D
SCHEMBL3910855 0.67 MAOA (0.52) MAOAMMP9MAOBKDM4EALDH1A1
SCHEMBL18691769 0.65 PDE4D (0.49) MAOAMMP9MAOBKDM4EALDH1A1
SCHEMBL980624 0.65 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10PDE4D

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6239747-A None JP disclosed
JP-6239747-A None JP disclosed
EP-1009316-B1 APPARATUS AND METHOD FOR AN AUDITORY STIMULATOR BAUMAN NATAN (US) 2013-10-09 EP disclosed
US-20100209537-A1 Metal complexes with anticancer activity BANGALORE RAMESH 2010-08-19 US disclosed
US-6048305-A Apparatus and method for an open ear auditory pathway stimulator to manage tinnitus and hyperacusis NATAN BAUMAN (US) 2000-04-11 US disclosed
EP-0542689-B1 Use of 1-(aminoalkyl)-3-quinoxaline-2-on derivatives for the preparation of neuroprotective compositions PHAFAG AG (LI) 1998-09-23 EP disclosed
US-5563140-A Use of 1-(aminoalkyl)-3-(benzyl)-quinoxaline-2-one derivatives for the preparation of neuroprotective compositions PHAFAG AKTIENGESELLSCHAFT (LI) 1996-10-08 US disclosed
US-5563140-A Use of 1-(aminoalkyl)-3-(benzyl)-quinoxaline-2-one derivatives for the preparation of neuroprotective compositions PHAFAG AKTIENGESELLSCHAFT (LI) 1996-10-08 US disclosed
JP-H06239747-A METHOD FOR USING 1-(AMINOALKYL)-3-(BENZYL)-QUINOXALINE-2-ONE DERIVATIVE FOR PREPARING NERVEPROTECTIVE COMPOSITION PHAFAG AG 1994-08-30 JP disclosed
JP-H06239747-A METHOD FOR USING 1-(AMINOALKYL)-3-(BENZYL)-QUINOXALINE-2-ONE DERIVATIVE FOR PREPARING NERVEPROTECTIVE COMPOSITION PHAFAG AG 1994-08-30 JP disclosed
EP-0542689-A1 Use of 1-(aminoalkyl)-3-quinoxaline-2-on derivatives for the preparation of neuroprotective compositions PHAFAG AKTIENGESELLSCHAFT (LI) 1993-05-19 EP disclosed