SCHEMBL7998950

SCHEMBL7998950

C=CCOc1c(OCC=C(C)C)c2ccc([N+](=O)[O-])cc2n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
PDE4A P27815 1/20 0.36
MAPT P10636 8/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ACHE P22303 1/20 0.35
CYP1B1 Q16678 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 1/20 0.34
CYP1A2 P05177 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL7999987 0.92 TDP1 (0.41) MAPTMAPK1POLBMEN1KMT2A
SCHEMBL7999984 0.92 TDP1 (0.41) MAPTMAPK1POLBMEN1KMT2A
SCHEMBL8001120 0.90 MAPT (0.39) PDE4AMAPTMAPK1HTTPOLB
SCHEMBL7999724 0.88 CNR1 (0.40) MAPTMAPK1HTTPOLBMEN1
SCHEMBL7997487 0.88 CYP1A2 (0.42) HTR1APDE4AMAPTPOLBMEN1
SCHEMBL7997575 0.88 ALDH1A1 (0.39) PDE4AMAPTMAPK1HTTPOLB
SCHEMBL7988407 0.88 MAPT (0.36) PDE4AMAPTMAPK1HTTPOLB
SCHEMBL8000556 0.87 HTR1A (0.43) HTR1AMAPTMAPK1HTTPOLB
SCHEMBL8004263 0.87 TDP1 (0.43) MAPTMAPK1POLBMEN1KMT2A
SCHEMBL8004269 0.87 TDP1 (0.43) MAPTMAPK1POLBMEN1KMT2A

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
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed