SCHEMBL6170872

SCHEMBL6170872

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
DYRK1A Q13627 2/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
KAT2B Q92831 2/20 0.39
HPGD P15428 1/20 0.39
KLK7 P49862 1/20 0.38
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
BTK Q06187 1/20 0.38
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
HTR6 P50406 2/20 0.37
HASPIN Q8TF76 1/20 0.37

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
SCHEMBL6170477 0.93 HASPIN (0.42) TDP1HTR2AHTR2CDYRK1AKDM4E
SCHEMBL6170913 0.83 KMO (0.48) DYRK1AKDM4EALDH1A1HSD17B10RAB9A
SCHEMBL6168228 0.83 KDM4E (0.46) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL6169951 0.81 TSPO (0.46) TDP1KDM4EALDH1A1RAB9ANPC1
SCHEMBL6170787 0.81 DYRK1A (0.42) DYRK1AKDM4EALDH1A1HSD17B10RAB9A
SCHEMBL6170009 0.81 EGLN1 (0.42)
SCHEMBL6170922 0.80 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL6172328 0.78 TSPO (0.54) TDP1KDM4EALDH1A1RAB9ANPC1
SCHEMBL7200867 0.78 EGLN1 (0.44) ALDH1A1HSD17B10NPC1
SCHEMBL6169091 0.77 HSP90AA1 (0.37) KDM4EALDH1A1HSD17B10RAB9ANPC1

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