SCHEMBL17065876

SCHEMBL17065876

O=[N+]([O-])c1ccccc1-c1ccc2c(c1)C=Cc1ccccc1N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 5/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHEK1 O14757 1/20 0.39
RPS6KA5 O75582 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL17072795 0.92 ALDH1A1 (0.49) ALDH1A1TDP1MAPTGAAKMT2A
SCHEMBL17065901 0.81 ALDH1A1 (0.53) ALDH1A1TDP1MAPTGAAKMT2A
SCHEMBL17065871 0.79 GAA (0.46) ALDH1A1TDP1MAPTGAAKMT2A
SCHEMBL17065906 0.78 ALDH1A1 (0.53) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL17065875 0.77 ALDH1A1 (0.44) ALDH1A1TDP1MAPTGAAKMT2A
SCHEMBL17065883 0.76 ALDH1A1 (0.50) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL17065864 0.75 ALDH1A1 (0.49) ALDH1A1TDP1MAPTGAAADORA1
SCHEMBL11323233 0.75 GAA (0.52) ALDH1A1TDP1MAPTGAAKMT2A
SCHEMBL15055905 0.74 ALDH1A1 (0.63) ALDH1A1TDP1MAPTGAAADORA1
SCHEMBL7494409 0.73 GAA (0.48) ALDH1A1TDP1MAPTGAAKMT2A

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