SCHEMBL6172271

SCHEMBL6172271

COc1ccc(-c2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
ATM Q13315 1/20 0.51
PIM1 P11309 1/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 3/20 0.45
TP53 P04637 2/20 0.45
ALDH1A1 P00352 9/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.43
KLK7 P49862 1/20 0.43
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
GSK3B P49841 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42

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
SCHEMBL7807602 0.87 MEN1 (0.68) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL6169452 0.80 NPC1 (0.56) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL6169412 0.78 RAB9A (0.57) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL8918232 0.72 ALDH1A1 (0.65) KDM4EHPGDHSD17B10TP53ALDH1A1
SCHEMBL31353162 0.70 MAOB (0.49) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL6172194 0.70 MEN1 (0.53) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL6535851 0.69 ALKBH3 (0.46) KDM4EALDH1A1MAPTGSK3BSMN1; SMN2
SCHEMBL9384667 0.69 KDM4E (0.63) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL19910971 0.69 BACE1 (0.51) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL6170426 0.69 KMT2A (0.71) RAB9AMEN1KMT2ANPC1ATM

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