SCHEMBL6414148

SCHEMBL6414148

O=[N+]([O-])c1cc(-c2ccc(/C=N\Nc3nc4nonc4nc3Nc3cccc(C(F)(F)F)c3)o2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.48
MAPT P10636 11/20 0.48
POLB P06746 4/20 0.48
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CCR2 P41597 1/20 0.47
CCR5 P51681 1/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 1/20 0.46
BIRC5 O15392 1/20 0.45
CTSC P53634 1/20 0.42
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NR4A1 P22736 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 3/20 0.41

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
SCHEMBL6414157 1.00 MET (0.48) METMAPTPOLBTP53SMN1; SMN2
SCHEMBL6503291 0.86 MET (0.52) METMAPTPOLBTP53SMN1; SMN2
SCHEMBL6506319 0.86 MET (0.52) METMAPTPOLBTP53SMN1; SMN2
SCHEMBL6507458 0.82 BIRC5 (0.67) METMAPTPOLBTP53SMN1; SMN2
SCHEMBL6507461 0.82 BIRC5 (0.67) METMAPTPOLBTP53SMN1; SMN2
SCHEMBL6438176 0.79 MAPT (0.51) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL6438174 0.79 MAPT (0.51) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL6415154 0.78 MAPT (0.49) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL6415150 0.78 MAPT (0.49) MAPTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL6436712 0.77 MAPT (0.57) MAPTPOLBSMN1; SMN2MEN1KMT2A

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