SCHEMBL3824367

SCHEMBL3824367

COc1ccc(N)cn1.COc1ccc2nccc(O)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
BRCA1 P38398 1/20 0.39
HBB P68871 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
PIP5K1C O60331 1/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
NNMT P40261 1/20 0.37
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
MKNK1 Q9BUB5 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
SCHEMBL29692873 0.87 EGFR (0.38) MEN1KMT2AMAP4K4EGFRPOLB
SCHEMBL592329 0.87 EGFR (0.38) MEN1KMT2AMAP4K4EGFRPOLB
SCHEMBL5747243 0.77 KCNH2 (0.33) EGFR
SCHEMBL14161282 0.77 EGFR (0.36) MEN1KMT2AMAP4K4EGFR
SCHEMBL113293 0.75
SCHEMBL29536663 0.75
SCHEMBL590199 0.75 MAP4K4 (0.44) MEN1KMT2APIK3CDPIK3CAPIK3CB
SCHEMBL2038287 0.74 MAP4K4 (0.41) KDM4EPIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL5645807 0.74 KDM4E (0.56) KDM4EMEN1KMT2AALDH1A1BRCA1
Hydrochloric Acid SCHEMBL5649941 0.74 KDM4E (0.56) KDM4EMEN1KMT2AALDH1A1BRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
EP-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 WO disclosed
EP-1549156-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT Investigacion Y Nutricion, S.L. (ES) 2005-07-06 EP disclosed
EP-1470125-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-10-27 EP disclosed
WO-2004014361-A9 AMINOCYCLOHEXENE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY GLAXO GROUP LTD (GB) 2004-04-08 WO disclosed
WO-2004014150-A1 DENATURED CAROB FLOUR (DCF) WITH A LOW CONTENT OF SOLUBLE TANNINS AND SUGARS, MEANT FOR HUMAN CONSUMPTION AND PROCESS TO OBTAIN IT INVESTIGACION Y NUTRICION, S.L. (ES) 2004-02-19 WO disclosed
WO-2003064421-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-07 WO disclosed