SCHEMBL17065896

SCHEMBL17065896

O=[N+]([O-])c1ccccc1-c1cccc2c1-c1ccccc1-c1ccccc1N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.49
PTPRC P08575 1/20 0.49
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
GSK3B P49841 3/20 0.42
RPS6KA5 O75582 1/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
LYN P07948 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKCA P17252 1/20 0.42
FGFR3 P22607 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MAPK3 P27361 1/20 0.42

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
SCHEMBL17065900 0.84 ALDH1A1 (0.49) S100A4PTPRCALDH1A1TDP1GSK3B
SCHEMBL27198984 0.79 ALDH1A1 (0.46) S100A4PTPRCALDH1A1TDP1GSK3B
SCHEMBL30776836 0.79 ALDH1A1 (0.46) S100A4PTPRCALDH1A1TDP1GSK3B
SCHEMBL1559811 0.77 S100A4 (0.75) S100A4PTPRCALDH1A1TDP1CA1
SCHEMBL30987815 0.77 ALDH1A1 (0.71) S100A4PTPRCALDH1A1TDP1KMT2A
SCHEMBL29337140 0.77 ALDH1A1 (0.71) S100A4PTPRCALDH1A1TDP1KMT2A
SCHEMBL17065901 0.77 ALDH1A1 (0.53) S100A4PTPRCALDH1A1TDP1GSK3B
SCHEMBL17065906 0.77 ALDH1A1 (0.53) ALDH1A1TDP1GSK3BRPS6KA5ABL1
SCHEMBL30535903 0.75 ALDH1A1 (0.74) S100A4PTPRCALDH1A1TDP1KMT2A
SCHEMBL1287837 0.75 ALDH1A1 (0.74) S100A4PTPRCALDH1A1TDP1KMT2A

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
WO-2015133808-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-09-11 WO disclosed
WO-2015133808-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-09-11 WO disclosed