SCHEMBL6170787

SCHEMBL6170787

COc1ccc(-c2cc3c(OC)cc(OC)cc3n(CC#N)c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.42
MAOA P21397 1/20 0.42
DYRK3 O43781 1/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK2 Q92630 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK4 Q9NR20 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KLK7 P49862 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 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
SCHEMBL6168228 0.89 KDM4E (0.46) ALDH1A1KDM4ERAB9ANPC1CYP3A4
SCHEMBL6170009 0.81 EGLN1 (0.42) EGLN1
SCHEMBL7197087 0.81 GRM2 (0.40) MAOAALDH1A1KDM4ERAB9ANPC1
SCHEMBL6170872 0.81 TDP1 (0.46) DYRK1AALDH1A1KDM4ERAB9ANPC1
SCHEMBL6170913 0.80 KMO (0.48) DYRK1AALDH1A1KDM4ERAB9ANPC1
SCHEMBL6170922 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ERAB9ANPC1CYP3A4
SCHEMBL6170477 0.79 HASPIN (0.42) DYRK1AALDH1A1KDM4ERAB9ANPC1
SCHEMBL6172328 0.77 TSPO (0.54) ALDH1A1KDM4ERAB9ANPC1MAPT
SCHEMBL7811933 0.76 EGLN1 (0.37) ALDH1A1KDM4ERAB9ANPC1CYP3A4
SCHEMBL6169951 0.76 TSPO (0.46) ALDH1A1KDM4ERAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097138-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-QUINOLONES LAFON LABOR (FR) 2005-12-07 EP disclosed
US-6593342-B1 Activity on the proliferation of clonogenic cells in tumours and comprising an efficient amount of a compound selected among the compounds LABORATOIRE L. LAFON (FR) 2003-07-15 US disclosed
EP-1097138-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-QUINOLONES LABORATOIRE L. LAFON (FR) 2001-05-09 EP disclosed
WO-2000003990-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-QUINOLONES LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed