SCHEMBL17065875

SCHEMBL17065875

O=[N+]([O-])c1ccccc1-c1cccc2c1Nc1ccccc1C=C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
GAA P10253 4/20 0.43
MAPT P10636 2/20 0.43
P2RX4 Q99571 1/20 0.40
S100A4 P26447 2/20 0.40
PTPRC P08575 1/20 0.40
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
GSK3B P49841 2/20 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
SCHEMBL7494409 0.88 GAA (0.48) ALDH1A1TDP1GAAMAPTP2RX4
SCHEMBL17065871 0.84 GAA (0.46) ALDH1A1TDP1GAAMAPTS100A4
SCHEMBL17065900 0.81 ALDH1A1 (0.49) ALDH1A1TDP1GAAMAPTS100A4
SCHEMBL11323233 0.80 GAA (0.52) ALDH1A1TDP1GAAMAPTP2RX4
SCHEMBL17072795 0.77 ALDH1A1 (0.49) ALDH1A1TDP1GAAMAPTS100A4
SCHEMBL17065876 0.77 ALDH1A1 (0.49) ALDH1A1TDP1GAAMAPTMGAM
SCHEMBL27198984 0.76 ALDH1A1 (0.46) ALDH1A1TDP1GAAMAPTS100A4
SCHEMBL30776836 0.76 ALDH1A1 (0.46) ALDH1A1TDP1GAAMAPTS100A4
SCHEMBL30535903 0.73 ALDH1A1 (0.74) ALDH1A1TDP1GAAS100A4PTPRC
SCHEMBL1287837 0.73 ALDH1A1 (0.74) ALDH1A1TDP1GAAS100A4PTPRC

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