SCHEMBL16670417

SCHEMBL16670417

O=c1ccc(-c2cc[nH]n2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.36
MAP4K4 O95819 1/20 0.35
ATR Q13535 2/20 0.35
CHEK1 O14757 1/20 0.34

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
SCHEMBL16766999 0.76 LMNA (0.36) PDE3BPDE3ALMNAMAPTMEN1
SCHEMBL29793162 0.73 CA12 (0.47) PDE3BPDE3APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL29793121 0.72 CA12 (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL15850229 0.72 AURKB (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8486152 0.71 LMNA (0.35) PDE3BPDE3ALMNAMEN1KMT2A
SCHEMBL28065851 0.71 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19
SCHEMBL28029443 0.69 AKT2 (0.54) MAPTCHEK1MAPK1
SCHEMBL28313237 0.69
SCHEMBL17608417 0.69 MAP4K4 (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL5468496 0.69 IDO1 (0.37) MAPTL3MBTL1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060046-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS Dow AgroSciences LLC (US) 2016-08-31 EP disclosed
WO-2015061161-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO disclosed
CN-102405219-B Tosylate salt of a 5-pyrazolyl-2-pyridone derivative, useful in the treatment of COPD ASTRAZENECA AB 2013-11-06 CN disclosed
CN-102405219-B Tosylate salt of a 5-pyrazolyl-2-pyridone derivative, useful in the treatment of COPD ASTRAZENECA AB 2013-11-06 CN disclosed
CN-102405219-A Tosylate salt of a 5-pyrazolyl-2-pyridone derivative, useful in the treatment of copd ASTRAZENECA AB 2012-04-04 CN disclosed
CN-102405219-A Tosylate salt of a 5-pyrazolyl-2-pyridone derivative, useful in the treatment of copd ASTRAZENECA AB 2012-04-04 CN disclosed