SCHEMBL6170201

SCHEMBL6170201

COc1cccc2cc(-c3ccccc3)c(=O)[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ATM Q13315 1/20 0.62
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PGR P06401 1/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44

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
SCHEMBL6169452 0.89 NPC1 (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL5542696 0.87 NPC1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL5536470 0.84 NPC1 (0.45) NPC1RAB9AMEN1KMT2AATM
SCHEMBL7807602 0.81 MEN1 (0.68) NPC1RAB9AMEN1KMT2AATM
SCHEMBL11665192 0.78 ITK (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6160715 0.78 NPC1 (0.65) NPC1RAB9AMEN1KMT2AATM
SCHEMBL31611895 0.78 NPC1 (0.63) NPC1RAB9AMEN1KMT2AATM
SCHEMBL1534147 0.77 DAO (0.47) MEN1KMT2AMAPTKDM4ETNKS
SCHEMBL5945907 0.77 CNR2 (0.57) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL6339128 0.77 KDM4E (0.51) MEN1KMT2AATMMAPTKDM4E

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