SCHEMBL3396288

SCHEMBL3396288

O=C(OC(=O)C(F)(F)F)c1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.53
CNR2 P34972 5/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
GAA P10253 2/20 0.47
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3954441 0.85 MGAM (0.66) MGAMCNR2MAPTSMN1; SMN2KDM4E
SCHEMBL7163667 0.84 MGAM (0.53) MGAMCNR2MAPTSMN1; SMN2HTT
SCHEMBL4304080 0.81 SMN1; SMN2 (0.57) MGAMCNR2MAPTSMN1; SMN2HTT
Boric Acid SCHEMBL8722291 0.80 MGAM (0.59) MGAMCNR2MAPTSMN1; SMN2KDM4E
Trifluoroacetic Acid SCHEMBL28462831 0.79 MGAM (0.54) MGAMCNR2MAPTSMN1; SMN2HTT
SCHEMBL10635595 0.79 MGAM (0.58) MGAMCNR2MAPTSMN1; SMN2KDM4E
SCHEMBL4303210 0.79 MGAM (0.58) MGAMCNR2MAPTSMN1; SMN2KDM4E
SCHEMBL4606005 0.78 MGAM (0.61) MGAMCNR2MAPTSMN1; SMN2HTT
SCHEMBL5176927 0.76 MGAM (0.63) MGAMCNR2MAPTSMN1; SMN2KDM4E
SCHEMBL6955948 0.76 MGAM (0.63) MGAMCNR2MAPTSMN1; SMN2KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
EP-1628989-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-12-20 EP disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
EP-1628988-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101586-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed