SCHEMBL7230440

SCHEMBL7230440

COc1cccnc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.60
PDE4B Q07343 2/20 0.58
PDE4A P27815 6/20 0.52
PDE4C Q08493 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
IDO1 P14902 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
MAPT P10636 3/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ATM Q13315 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
SCHEMBL27489306 0.84 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL7232506 0.82 PDE4D (0.53) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL7230945 0.81 PDE4D (0.64) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL3466191 0.80 PDE4D (0.63) PDE4DPDE4BL3MBTL1MAPTRECQL
SCHEMBL4325597 0.79 AKR1C3 (0.55) PDE4DPDE4BL3MBTL1ACHEMAPT
SCHEMBL6433855 0.79 PDE4D (0.55) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL3790089 0.78 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL28145745 0.78 PDE4D (0.64) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL28144687 0.78 PDE4D (0.64) PDE4DPDE4BPDE4APDE4CL3MBTL1
SCHEMBL27364256 0.78 PDE4D (0.64) PDE4DPDE4BPDE4APDE4CL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed