SCHEMBL7997487

SCHEMBL7997487

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
CFTR P13569 2/20 0.36
PDE4A P27815 2/20 0.35
IDO1 P14902 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR1A P08908 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ACHE P22303 1/20 0.34
CYP1B1 Q16678 1/20 0.34
NOX4 Q9NPH5 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
SCHEMBL7998993 0.92 TDP1 (0.40) CYP1A2KDM4EPOLBPKMKMT2A
SCHEMBL7998989 0.92 TDP1 (0.40) CYP1A2KDM4EPOLBPKMKMT2A
SCHEMBL8001878 0.91 MAPT (0.39) CYP1A2KDM4EPOLBKMT2ALMNA
SCHEMBL7989001 0.90 CYP1A2 (0.44) CYP1A2PKMKMT2ALMNAMAPT
SCHEMBL8000565 0.89 CYP1A2 (0.41) CYP1A2KDM4EPOLBKMT2ALMNA
SCHEMBL7990057 0.89 MAPT (0.42) CYP1A2KDM4EKMT2ALMNAMAPT
SCHEMBL8472599 0.89 MAPT (0.42) CYP1A2KDM4EKMT2ALMNAMAPT
SCHEMBL7988431 0.88 CYP1A2 (0.42) CYP1A2KDM4EKMT2ALMNAMAPT
SCHEMBL7997461 0.88 CYP1A2 (0.42) CYP1A2KDM4EKMT2ALMNAMAPT
SCHEMBL7998950 0.88 HTR1A (0.37) CYP1A2KDM4EPOLBKMT2ALMNA

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