SCHEMBL17065871

SCHEMBL17065871

O=[N+]([O-])c1ccccc1-c1cccc2c1C=Cc1ccccc1N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
PTPN1 P18031 1/20 0.39
S100A4 P26447 2/20 0.39
PTPRC P08575 1/20 0.39
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
GSK3B P49841 3/20 0.38
RPS6KA5 O75582 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
LYN P07948 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL11323233 0.88 GAA (0.52) GAAMAPTALDH1A1TDP1S100A4
SCHEMBL17065875 0.84 ALDH1A1 (0.44) GAAMAPTALDH1A1TDP1PTPN1
SCHEMBL17065876 0.79 ALDH1A1 (0.49) GAAMAPTALDH1A1TDP1PTPN1
SCHEMBL17072795 0.79 ALDH1A1 (0.49) GAAMAPTALDH1A1TDP1PTPN1
SCHEMBL7494409 0.77 GAA (0.48) GAAMAPTALDH1A1TDP1S100A4
SCHEMBL17073029 0.75 TDP1 (0.44) GAAMAPTALDH1A1TDP1PTPN1
SCHEMBL17072807 0.75 KMT2A (0.49) GAAMAPTALDH1A1TDP1PTPN1
SCHEMBL1287837 0.72 ALDH1A1 (0.74) GAAALDH1A1TDP1PTPN1S100A4
SCHEMBL30535903 0.72 ALDH1A1 (0.74) GAAALDH1A1TDP1PTPN1S100A4
SCHEMBL17065896 0.72 S100A4 (0.49) GAAMAPTALDH1A1TDP1PTPN1

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-2015133807-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2015-09-11 WO disclosed
WO-2015133807-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2015-09-11 WO disclosed