SCHEMBL6438197

SCHEMBL6438197

O=[N+]([O-])c1cccc(-c2ccc(/C=N\Nc3nc4nonc4nc3NCc3ccccc3)o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.52
MEN1 O00255 12/20 0.52
KMT2A Q03164 12/20 0.52
HTT P42858 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.50
TLR9 Q9NR96 1/20 0.50
BIRC5 O15392 1/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
SAE1 Q9UBE0 1/20 0.49

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
SCHEMBL6438200 1.00 MAPT (0.52) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6436712 0.87 MAPT (0.57) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6436709 0.87 MAPT (0.57) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6510185 0.87 BIRC5 (0.50) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6435175 0.85 BIRC5 (0.68) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6435171 0.85 BIRC5 (0.68) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6415263 0.84 MAPT (0.64) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6432656 0.83 BIRC5 (0.59) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6432659 0.83 BIRC5 (0.59) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6507696 0.82 MAPT (0.52) MAPTMEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP disclosed