SCHEMBL6170899

SCHEMBL6170899

COc1cc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)cc(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.80
RAB9A P51151 5/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
ALDH1A1 P00352 5/20 0.65
MAPT P10636 1/20 0.65
USP2 O75604 1/20 0.64
NPC1 O15118 3/20 0.60
HPGD P15428 1/20 0.59
NLRP3 Q96P20 1/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
TSHR P16473 1/20 0.57
LTA4H P09960 1/20 0.56
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54

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
SCHEMBL8704595 0.90 USP2 (0.81) L3MBTL1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6171858 0.89 L3MBTL1 (1.00) L3MBTL1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9367753 0.85 LTA4H (0.71) RAB9ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL6171606 0.85 L3MBTL1 (0.80) L3MBTL1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5108829 0.81 RAB9A (0.71) L3MBTL1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL27766762 0.81 ALOX5 (0.57) L3MBTL1RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL9370863 0.80 ALDH1A1 (0.88) L3MBTL1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6171613 0.80 RAB9A (1.00) L3MBTL1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9370835 0.80 LTA4H (0.63) L3MBTL1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9366570 0.79 RAB9A (0.64) RAB9ASMN1; SMN2ALDH1A1MAPTNPC1

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 2 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