SCHEMBL4304080

SCHEMBL4304080

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 1/20 0.57
MGAM O43451 1/20 0.56
CNR2 P34972 5/20 0.54
MAPT P10636 4/20 0.54
KDM4E B2RXH2 5/20 0.52
HDAC8 Q9BY41 1/20 0.51
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4312684 0.83 MGAM (0.56) SMN1; SMN2HTTMGAMCNR2MAPT
SCHEMBL4606005 0.81 MGAM (0.61) SMN1; SMN2HTTMGAMCNR2MAPT
SCHEMBL3396288 0.81 MGAM (0.53) SMN1; SMN2HTTMGAMCNR2MAPT
SCHEMBL3954441 0.80 MGAM (0.66) SMN1; SMN2MGAMCNR2MAPTKDM4E
SCHEMBL5176927 0.79 MGAM (0.63) SMN1; SMN2MGAMCNR2MAPTKDM4E
SCHEMBL6955948 0.79 MGAM (0.63) SMN1; SMN2MGAMCNR2MAPTKDM4E
SCHEMBL4859653 0.78 MGAM (0.54) SMN1; SMN2HTTMGAMCNR2MAPT
Trifluoroacetic Acid SCHEMBL28462831 0.78 MGAM (0.54) SMN1; SMN2HTTMGAMCNR2MAPT
SCHEMBL4302912 0.77 MGAM (0.61) SMN1; SMN2MGAMCNR2MAPTKDM4E
SCHEMBL725183 0.77 MGAM (0.61) SMN1; SMN2HTTMGAMCNR2MAPT

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-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed