SCHEMBL17072807

SCHEMBL17072807

O=[N+]([O-])c1ccccc1-c1cccc2c1C=Cc1ccccc1O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 1/20 0.49
CASP6 P55212 1/20 0.49
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
S100A4 P26447 2/20 0.40
PTPRC P08575 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MAOB P27338 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 1/20 0.37
PTPN1 P18031 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MITF O75030 1/20 0.36

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
SCHEMBL17065866 0.87 ALDH1A1 (0.45) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL17065883 0.81 ALDH1A1 (0.50) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL17065884 0.80 ALDH1A1 (0.49) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL17073029 0.77 TDP1 (0.44) KMT2AALDH1A1TDP1S100A4PTPRC
SCHEMBL1127866 0.76 TDP1 (0.42) KMT2AMEN1POLBCASP6ALDH1A1
SCHEMBL17065871 0.75 GAA (0.46) KMT2AMEN1ALDH1A1TDP1S100A4
SCHEMBL18489004 0.74 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1TDP1S100A4
SCHEMBL18967847 0.73 S100A4 (0.57) KMT2APOLBCASP6ALDH1A1TDP1
SCHEMBL1287837 0.73 ALDH1A1 (0.74) KMT2AMEN1ALDH1A1TDP1S100A4
SCHEMBL30535903 0.73 ALDH1A1 (0.74) KMT2AMEN1ALDH1A1TDP1S100A4

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