SCHEMBL3134807

SCHEMBL3134807

CC(=O)N1c2ccccc2C(=O)C1Br

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
HSD17B10 Q99714 4/20 0.56
ALDH1A1 P00352 3/20 0.56
GLA P06280 1/20 0.56
ALOX15 P16050 1/20 0.56
GAA P10253 1/20 0.52
TP53 P04637 3/20 0.49
MAPT P10636 2/20 0.47
NOTUM Q6P988 3/20 0.45
CES1 P23141 1/20 0.45
HPGD P15428 2/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNA3 P22001 1/20 0.41
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL22299424 0.81 KDM4E (0.57) KDM4EHSD17B10ALDH1A1GLAALOX15
SCHEMBL67636 0.81 KDM4E (0.57) KDM4EHSD17B10ALDH1A1GLAALOX15
SCHEMBL68602 0.79 KDM4E (0.56) KDM4EHSD17B10ALDH1A1GLAALOX15
SCHEMBL2612675 0.76 KDM4E (0.40) KDM4EHSD17B10ALDH1A1GLAALOX15
SCHEMBL68113 0.73 KDM4E (0.50) KDM4EHSD17B10ALDH1A1GLAALOX15
SCHEMBL6671494 0.72 ALDH1A1 (0.40) KDM4EHSD17B10ALDH1A1GLAALOX15
SCHEMBL5835789 0.70 NOTUM (0.64) KDM4EHSD17B10ALDH1A1GLAALOX15
SCHEMBL221250 0.70 NOTUM (0.64) KDM4EHSD17B10ALDH1A1GLAALOX15
SCHEMBL11329335 0.68 KDM4E (0.45) KDM4EHSD17B10ALDH1A1GLAALOX15
SCHEMBL13871254 0.68 KDM4E (0.44) KDM4EHSD17B10ALDH1A1GLAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2128160-B1 Indolo[2,3-b]-, Indeno[1,2-b]- and Indeno[2,1-b]pyrido[2,3-f] quinoxaline-3-carboxylic acids and esters, processes for their preparation and their use as antiviral, antibiotic and antitumor agents UNIV DUISBURG ESSEN (DE) 2010-07-14 EP disclosed
EP-2128160-A1 Indolo[2,3-b]-, Indeno[1,2-b]- and Indeno[2,1-b]pyrido[2,3-f] quinoxaline-3-carboxylic acids and esters, processes for their preparation and their use as antiviral, antibiotic and antitumor agents Universität Duisburg-Essen (DE) 2009-12-02 EP disclosed
US-5672705-A ANTIISCHEMIC AGENTS TREATING NERVOUS SYSTEM DISORDERS, HUNTINGTON' DISEASE, ALZHEIMER'S DISEASE, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1997-09-30 US disclosed
WO-1997025329-A1 5H,10H-IMIDAZO[1,2-a]INDOLO[3,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1997-07-17 WO disclosed
EP-0708778-B1 IMIDAZO[1,2-A]PYRAZIN-4-ONE DERIVATIVES FOR USE AS AMPA AND NMDA RECEPTOR ANTAGONISTS RHONE POULENC RORER SA (FR) 1997-02-05 EP disclosed
EP-0708778-A1 IMIDAZO[1,2-A]PYRAZIN-4-ONE DERIVATIVES FOR USE AS AMPA AND NMDA RECEPTOR ANTAGONISTS RHONE POULENC RORER SA (FR) 1996-05-01 EP disclosed
WO-1995002602-A1 IMIDAZO(1,2-A)PYRAZIN-4-ONE DERIVATIVES FOR USE AS AMPA AND NMDA RECEPTOR ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1995-01-26 WO disclosed