SCHEMBL5332939

SCHEMBL5332939

CC(=O)Nc1ccc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TOP1 P11387 2/20 0.48
TOP2A P11388 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.45
TERT O14746 2/20 0.44
SIRT6 Q8N6T7 4/20 0.44
CHEK2 O96017 1/20 0.44
MEN1 O00255 1/20 0.43
SLCO2B1 O94956 1/20 0.43
GLA P06280 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
BCL2L1 Q07817 1/20 0.43

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
SCHEMBL14669416 0.99 ALDH1A1 (0.48) ALDH1A1TOP1TOP2ASMN1; SMN2HPGD
SCHEMBL5332122 0.84 PRMT5 (0.46) MAPTNPC1RAB9AALK
SCHEMBL1552598 0.83 MAPT (0.54) ALDH1A1TOP1TOP2ASMN1; SMN2HPGD
SCHEMBL14669420 0.82 MAPT (0.53) ALDH1A1TOP1TOP2ASMN1; SMN2HPGD
SCHEMBL21753620 0.81 MAPT (0.61) ALDH1A1MAPTSIRT6MAPK1L3MBTL1
SCHEMBL23945280 0.81 SIRT6 (0.54) ALDH1A1TOP1TOP2ASMN1; SMN2HPGD
SCHEMBL14892358 0.80 MAPT (0.50) ALDH1A1TOP1TOP2ASMN1; SMN2HPGD
SCHEMBL4258177 0.78 NPBWR1 (0.58) ALDH1A1TOP1TOP2ASMN1; SMN2HPGD
SCHEMBL14892490 0.76 ALDH1A1 (0.57) ALDH1A1TOP1TOP2ASMN1; SMN2HPGD
SCHEMBL14669417 0.75 ALDH1A1 (0.60) ALDH1A1TOP1TOP2ASMN1; SMN2HPGD

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