SCHEMBL6170246

SCHEMBL6170246

COc1cc(OC)c2cc(-c3ccc(C(C)=O)cc3)c(=O)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
ABCG2 Q9UNQ0 1/20 0.41
IDO1 P14902 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40

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
SCHEMBL6169412 0.87 RAB9A (0.57) KMT2AMEN1NPC1RAB9AATM
SCHEMBL6172194 0.86 MEN1 (0.53) KMT2AMEN1NPC1RAB9AATM
SCHEMBL6170426 0.83 KMT2A (0.71) KMT2AMEN1NPC1RAB9AATM
SCHEMBL6171096 0.77 MEN1 (0.46) KMT2AMEN1NPC1RAB9AATM
SCHEMBL6170924 0.76 MEN1 (0.54) KMT2AMEN1NPC1RAB9AATM
SCHEMBL31353380 0.73 PRKAB2 (0.46) KMT2AMEN1NPC1RAB9AATM
SCHEMBL6239769 0.73 KMT2A (0.60) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL6171548 0.71 KMT2A (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL8307066 0.70 KMT2A (0.56) KMT2ANPC1MAPTALDH1A1HPGD
SCHEMBL22926252 0.70 KDR (0.54) MAPTHPGDBRD4KDM4ESMN1; SMN2

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