SCHEMBL7240478

SCHEMBL7240478

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.60
PDE4A P27815 7/20 0.52
PDE4C Q08493 5/20 0.52
IDO1 P14902 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MYC P01106 1/20 0.47
WDR5 P61964 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE4B Q07343 1/20 0.46
TOP1 P11387 1/20 0.44

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
SCHEMBL17116598 0.79 CNR2 (0.47) LMNAMAPTKDM4EALDH1A1
SCHEMBL7230945 0.78 PDE4D (0.64) PDE4DPDE4APDE4CIDO1BCHE
SCHEMBL27364256 0.78 PDE4D (0.64) PDE4DPDE4APDE4CIDO1BCHE
SCHEMBL28145745 0.78 PDE4D (0.64) PDE4DPDE4APDE4CIDO1BCHE
SCHEMBL28144687 0.78 PDE4D (0.64) PDE4DPDE4APDE4CIDO1BCHE
SCHEMBL2649739 0.77 MAPT (0.50) PDE4DIDO1LMNATSHRMAPT
Bromide SCHEMBL7238592 0.77 PDE4D (0.63) PDE4DPDE4APDE4CIDO1BCHE
SCHEMBL7231457 0.76 PDE4D (0.61) PDE4DPDE4APDE4CIDO1BCHE
SCHEMBL7236603 0.76 PDE4D (0.61) PDE4DPDE4APDE4CIDO1BCHE
SCHEMBL9002865 0.76 PDE4D (0.61) PDE4DPDE4APDE4CIDO1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104341388-A Aromatic amide derivative as well as preparation method and medicinal application thereof SHANGHAI RUNNUO BIOTECHNOLOGY CO LTD 2015-02-11 CN disclosed
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