SCHEMBL6048280

SCHEMBL6048280

Nc1cccc(-c2nc[nH]c2-c2cccc(N)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.57
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
MAPK14 Q16539 4/20 0.53
AURKA O14965 1/20 0.46
MAP4K4 O95819 2/20 0.46
METAP2 P50579 1/20 0.45
ENPP2 Q13822 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL25210564 0.81 MAP4K4 (0.46) KDM4EMAPTMAPK14MAP4K4METAP2
SCHEMBL1494487 0.79 IDO1 (0.47) IDO1KDM4ECYP3A4MAPTMAPK14
SCHEMBL13946985 0.78 PARP1 (0.45) IDO1KDM4EMAPTAURKAMAP4K4
SCHEMBL30014823 0.75 IDO1 (0.56) IDO1KDM4ECYP3A4MAPTMAPK14
SCHEMBL12491361 0.73 CYP3A4 (0.64) IDO1KDM4ECYP3A4MAPTMAPK14
SCHEMBL224770 0.72 KDM4E (1.00) IDO1KDM4ECYP3A4MAPTMAPK14
SCHEMBL21631818 0.72 MAPK14 (0.80) IDO1KDM4ECYP3A4MAPTMAPK14
SCHEMBL28163166 0.71 KDM4E (0.56) IDO1KDM4ECYP3A4MAPTMAPK14
Bromide SCHEMBL31020961 0.71 KDM4E (0.96) IDO1KDM4ECYP3A4MAPTMAPK14
SCHEMBL1501876 0.69 METAP2 (0.50) KDM4EMAPTMAP4K4METAP2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420037-B1 Ion conducting membrane for electrochemical applications GEESTHACHT GKSS FORSCHUNG (DE) 2006-03-01 EP claimed
EP-1420037-A1 Ion conducting membrane for electrochemical applications GKSS-FORSCHUNGSZENTRUM GEESTHACHT GMBH (DE) 2004-05-19 EP claimed
EP-1420037-B1 Ion conducting membrane for electrochemical applications GEESTHACHT GKSS FORSCHUNG (DE) 2006-03-01 EP disclosed
US-6869715-B2 Ion conductive membrane for electrochemical application GKSS-FORSCHUNGSZENTRUM GEESTHACHT, GMBH (DE) 2005-03-22 US disclosed
US-20040101732-A1 Ion conductive membrane for electrochemical application GKSS FORSCHUNGSZENTRUM GEESTHACHT GMBH (DE) 2004-05-27 US disclosed
EP-1420037-A1 Ion conducting membrane for electrochemical applications GKSS-FORSCHUNGSZENTRUM GEESTHACHT GMBH (DE) 2004-05-19 EP disclosed