SCHEMBL7230945

SCHEMBL7230945

Cc1cccnc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.64
PDE4A P27815 6/20 0.61
PDE4C Q08493 4/20 0.55
ACHE P22303 2/20 0.51
BCHE P06276 1/20 0.51
IDO1 P14902 1/20 0.51
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
CYP2A6 P11509 1/20 0.49
TSHR P16473 2/20 0.49
PDE4B Q07343 1/20 0.48
MAPK1 P28482 1/20 0.48
TOP1 P11387 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL28134363 0.83 PDE4D (0.58) PDE4DPDE4APDE4CACHEBCHE
SCHEMBL28458346 0.83 CYP2A6 (0.49) PDE4DPDE4AACHEIDO1MAPT
SCHEMBL7050345 0.82 MAPT (0.66) PDE4DPDE4APDE4CMAPTL3MBTL1
SCHEMBL27364256 0.82 PDE4D (0.64) PDE4DPDE4APDE4CACHEBCHE
SCHEMBL28145745 0.82 PDE4D (0.64) PDE4DPDE4APDE4CACHEBCHE
SCHEMBL28144687 0.82 PDE4D (0.64) PDE4DPDE4APDE4CACHEBCHE
SCHEMBL6452358 0.81 MAPT (0.56) PDE4DPDE4APDE4CACHEBCHE
SCHEMBL7230440 0.81 PDE4D (0.60) PDE4DPDE4APDE4CACHEBCHE
Bromide SCHEMBL7238592 0.81 PDE4D (0.63) PDE4DPDE4APDE4CACHEBCHE
SCHEMBL7231457 0.79 PDE4D (0.61) PDE4DPDE4APDE4CACHEBCHE

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