SCHEMBL7230993

SCHEMBL7230993

O=[N+]([O-])c1cccc(-c2ncccc2C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.60
PDE4A P27815 7/20 0.52
PDE4C Q08493 5/20 0.52
TRPV1 Q8NER1 1/20 0.50
IDO1 P14902 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SCN5A Q14524 5/20 0.46
SCN9A Q15858 5/20 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
SCHEMBL6451202 0.83 MAPT (0.53) PDE4DPDE4APDE4CIDO1BCHE
SCHEMBL28144687 0.78 PDE4D (0.64) PDE4DPDE4APDE4CIDO1BCHE
SCHEMBL7230945 0.78 PDE4D (0.64) PDE4DPDE4APDE4CIDO1BCHE
SCHEMBL27364256 0.78 PDE4D (0.64) PDE4DPDE4APDE4CIDO1BCHE
SCHEMBL28145745 0.78 PDE4D (0.64) PDE4DPDE4APDE4CIDO1BCHE
SCHEMBL4357729 0.77 TRPV1 (0.58) TRPV1KDM4EMAPT
SCHEMBL14746834 0.77 CDK2 (0.51) TRPV1MAPTL3MBTL1
SCHEMBL27659491 0.77 TRPV1 (0.47) TRPV1SCN5ASCN9A
SCHEMBL4974349 0.77 TRPV1 (0.58) TRPV1MAPT
Bromide SCHEMBL7238592 0.77 PDE4D (0.63) 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 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