SCHEMBL4303213

SCHEMBL4303213

O=[C]CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
POLB P06746 2/20 0.49
PKM P14618 1/20 0.49
GAA P10253 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.47
LMNA P02545 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 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
SCHEMBL10891353 0.86 MAPT (0.59) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL10893359 0.86 MAPT (0.51) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL5981763 0.83 HCAR3 (0.63) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL30169708 0.83 HCAR3 (0.63) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL8107611 0.83 MAPT (0.60) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL6745448 0.81 MAPT (0.59) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL14063303 0.81 HCAR3 (0.65) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL8147273 0.80 MAPT (0.65) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL16616688 0.80 MAPT (0.55) MAPTKDM4EALDH1A1MAPK1POLB
SCHEMBL27501764 0.79 ALDH1A1 (0.53) MAPTKDM4EALDH1A1MAPK1TDP1

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-2009134754-A1 BENZOIMIDAZOLE GLYCINAMIDES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 WO disclosed