SCHEMBL5489715

SCHEMBL5489715

Nc1ccc(NNc2ccc([N+](=O)[O-])cc2N)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPK1 P28482 2/20 0.58
ALDH1A1 P00352 6/20 0.57
TDP1 Q9NUW8 5/20 0.57
CYP3A4 P08684 4/20 0.57
ALOX15 P16050 2/20 0.57
GFER P55789 2/20 0.52
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
TSHR P16473 3/20 0.49
RECQL P46063 2/20 0.46
THRB P10828 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
SCHEMBL5489713 0.79 TDP1 (0.79) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL3666032 0.74 MAPT (0.60) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL3102562 0.74 TDP1 (0.76) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL29358067 0.74 ALDH1A1 (1.00) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL78083 0.74 ALDH1A1 (1.00) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL243259 0.74 MEN1 (1.00) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL8353349 0.74 MEN1 (1.00) MAPTMEN1KMT2AMAPK1ALDH1A1
2-Amino-4-Nitrophenol SCHEMBL8743077 0.74 ALOX15 (0.75) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL28866079 0.74 ALDH1A1 (0.69) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL211286 0.74 MAPT (0.61) MAPTMEN1KMT2AMAPK1ALDH1A1

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-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed