SCHEMBL9002865

SCHEMBL9002865

O=C(c1cccnc1-c1cccc([N+](=O)[O-])c1)c1cccnc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.61
RORB Q92753 1/20 0.54
PDE4A P27815 6/20 0.53
PDE4C Q08493 4/20 0.53
PDE4B Q07343 1/20 0.52
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
KCNH2 Q12809 1/20 0.50
IDO1 P14902 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TOP1 P11387 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
SCHEMBL10768030 0.90 PDE4D (0.60) PDE4DPDE4APDE4CPDE4BKMT2A
SCHEMBL7273341 0.90 PDE4D (0.60) PDE4DPDE4APDE4CPDE4BKMT2A
SCHEMBL27993567 0.89 KMT2A (0.60) PDE4DPDE4APDE4CPDE4BKMT2A
SCHEMBL6433855 0.85 PDE4D (0.55) PDE4DPDE4APDE4CPDE4BKMT2A
Bromide SCHEMBL7238592 0.81 PDE4D (0.63) PDE4DPDE4APDE4CPDE4BKMT2A
SCHEMBL7236603 0.80 PDE4D (0.61) PDE4DPDE4APDE4CPDE4BKMT2A
SCHEMBL28144687 0.79 PDE4D (0.64) PDE4DPDE4APDE4CPDE4BKMT2A
SCHEMBL28145745 0.79 PDE4D (0.64) PDE4DPDE4APDE4CPDE4BMAPT
SCHEMBL27364256 0.79 PDE4D (0.64) PDE4DPDE4APDE4CPDE4BKMT2A
SCHEMBL7230945 0.79 PDE4D (0.64) PDE4DPDE4APDE4CPDE4BMAPT

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
US-5482948-A Pyridyl derivatives and pharmaceutical compositions comprising these compounds DR. KARL THOMAE GMBH (DE) 1996-01-09 US disclosed
US-5286736-A Thromboxane antagonists and thromboxane synthetase inhibitors DR. KARL THOMAE GMBH (DE) 1994-02-15 US disclosed