SCHEMBL6170477

SCHEMBL6170477

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 1/20 0.42
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DYRK1A Q13627 2/20 0.38
SMPD1 P17405 2/20 0.38
KAT2B Q92831 1/20 0.38
FLT3 P36888 1/20 0.38
GAA P10253 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL6170872 0.93 TDP1 (0.46) HASPINTDP1ALDH1A1RAB9AKDM4E
SCHEMBL6168228 0.81 KDM4E (0.46) KMT2AALDH1A1RAB9AKDM4ENPC1
SCHEMBL6170913 0.81 KMO (0.48) KMT2AALDH1A1RAB9AKDM4ENPC1
SCHEMBL6169951 0.79 TSPO (0.46) KMT2ATDP1ALDH1A1RAB9AKDM4E
SCHEMBL6170787 0.79 DYRK1A (0.42) KMT2AALDH1A1RAB9AKDM4ENPC1
SCHEMBL6170009 0.79 EGLN1 (0.42)
SCHEMBL6170922 0.79 ALDH1A1 (0.47) KMT2AALDH1A1RAB9AKDM4ENPC1
SCHEMBL6172328 0.77 TSPO (0.54) KMT2ATDP1ALDH1A1RAB9AKDM4E
SCHEMBL6169091 0.76 HSP90AA1 (0.37) ALDH1A1RAB9AKDM4ENPC1CYP3A4
SCHEMBL6170336 0.75 KMO (0.44) DYRK1A

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