SCHEMBL6171606

SCHEMBL6171606

COc1ccc(CC(=O)Nc2cc(OC)cc(OC)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.80
ALDH1A1 P00352 4/20 0.74
SMN1; SMN2 Q16637 4/20 0.70
LMNA P02545 1/20 0.70
MAPT P10636 2/20 0.68
RAB9A P51151 1/20 0.68
NLRP3 Q96P20 2/20 0.68
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
HTT P42858 1/20 0.65
POLB P06746 1/20 0.63
USP2 O75604 1/20 0.62
TSHR P16473 1/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
KDM4E B2RXH2 1/20 0.59

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
SCHEMBL6171858 0.89 L3MBTL1 (1.00) L3MBTL1ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL30034264 0.88 SMN1; SMN2 (0.88) L3MBTL1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL6170899 0.85 L3MBTL1 (0.80) L3MBTL1ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL3502569 0.85 ALDH1A1 (0.80) L3MBTL1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL27432885 0.84 GAA (0.76) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL9370863 0.84 ALDH1A1 (0.88) L3MBTL1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3923158 0.83 SMN1; SMN2 (0.78) L3MBTL1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL13185621 0.83 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL2453779 0.83 SMN1; SMN2 (0.78) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL29769748 0.81 SMN1; SMN2 (0.76) L3MBTL1ALDH1A1SMN1; SMN2LMNAMAPT

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