SCHEMBL6170922

SCHEMBL6170922

COc1ccc(-c2cc3c(OC)cc(OC)cc3n(C)c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP3A4 P08684 2/20 0.47
NPC1 O15118 1/20 0.47
GABRA1 P14867 5/20 0.46
GABRG2 P18507 5/20 0.46
GABRB3 P28472 5/20 0.46
GABRA3 P34903 5/20 0.46
GABRA2 P47869 5/20 0.46
KLK7 P49862 1/20 0.44
GABRA5 P31644 3/20 0.43
COMT P21964 1/20 0.41
CYP19A1 P11511 1/20 0.41
NQO2 P16083 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6181826 0.91 RET (0.48) ALDH1A1RAB9AKDM4EHSD17B10CYP3A4
SCHEMBL6169499 0.83 ABL1 (0.40) ALDH1A1RAB9AKDM4EHSD17B10CYP3A4
SCHEMBL6170872 0.80 TDP1 (0.46) ALDH1A1RAB9AKDM4EHSD17B10CYP3A4
SCHEMBL6170913 0.80 KMO (0.48) ALDH1A1RAB9AKDM4EHSD17B10CYP3A4
SCHEMBL6168228 0.80 KDM4E (0.46) ALDH1A1RAB9AKDM4EHSD17B10CYP3A4
SCHEMBL6170787 0.79 DYRK1A (0.42) ALDH1A1RAB9AKDM4EHSD17B10CYP3A4
SCHEMBL6170009 0.79 EGLN1 (0.42)
SCHEMBL6170477 0.79 HASPIN (0.42) ALDH1A1RAB9AKDM4EHSD17B10CYP3A4
SCHEMBL7197087 0.76 GRM2 (0.40) ALDH1A1RAB9AKDM4EHSD17B10CYP3A4
SCHEMBL6169951 0.75 TSPO (0.46) ALDH1A1RAB9AKDM4ENPC1HPGD

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