SCHEMBL5424701

SCHEMBL5424701

CN1CCN(c2ccc3[nH]c(-c4cc([N+](=O)[O-])cn4C)nc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 3/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
NPBWR1 P48145 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PDGFRB P09619 2/20 0.44
FGFR1 P11362 2/20 0.44
KDR P35968 2/20 0.44
TOP1 P11387 2/20 0.43
TOP2A P11388 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHEK2 O96017 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 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
SCHEMBL5333120 0.81 FGFR1 (0.50) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5435825 0.81 FGFR1 (0.47) SIRT6ALDH1A1LMNAMEN1KMT2A
SCHEMBL14224669 0.80 MEN1 (0.49) MAPTALDH1A1NPBWR1MEN1KMT2A
SCHEMBL4258177 0.80 NPBWR1 (0.58) MAPTALDH1A1LMNANPBWR1MEN1
SCHEMBL1552598 0.78 MAPT (0.54) SIRT6MAPTALDH1A1LMNANPBWR1
SCHEMBL5333969 0.78 CHEK2 (0.47) MAPTALDH1A1NPBWR1MEN1KMT2A
SCHEMBL27521866 0.77 NPBWR1 (0.53) SIRT6MAPTALDH1A1LMNANPBWR1
SCHEMBL14669420 0.77 MAPT (0.53) SIRT6MAPTALDH1A1LMNANPBWR1
SCHEMBL3381581 0.75 FGFR1 (0.71) PDGFRBFGFR1KDR
SCHEMBL5559865 0.75 MEN1 (0.47) MAPTALDH1A1LMNANPBWR1MEN1

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
WO-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 WO disclosed