SCHEMBL11528602

SCHEMBL11528602

O=[N+]([O-])c1ccccc1Nc1ccc(N=Nc2ccc(O)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.83
GAA P10253 7/20 0.83
MEN1 O00255 6/20 0.83
KMT2A Q03164 6/20 0.83
MAPK1 P28482 5/20 0.83
TDP1 Q9NUW8 4/20 0.83
PKM P14618 1/20 0.83
ALDH1A1 P00352 5/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
CASP7 P55210 1/20 0.62
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.48
RRM1 P23921 1/20 0.46
RRM2 P31350 1/20 0.46
RRM2B Q7LG56 1/20 0.46
EPAS1 Q99814 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GFER P55789 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL109703 0.91 MAPT (1.00) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11506844 0.83 ALDH1A1 (0.89) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL28026099 0.82 MAPT (0.59) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL7912825 0.82 MAPK1 (0.70) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11533820 0.79 HCAR3 (0.68) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11507400 0.78 ALDH1A1 (0.79) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL230292 0.78 TDP1 (1.00) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL31333098 0.78 TDP1 (1.00) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL27844608 0.78 MEN1 (0.74) MAPTGAAMEN1KMT2AMAPK1
SCHEMBL11217415 0.77 IDE (0.53) MAPTGAAMEN1KMT2AMAPK1

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
US-4145342-A NITRO-DIPHENYLAMINO-AZO-PHENYL DYESTUFFS CONTAINING A POLYALKYENEOXY GROUP BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed