SCHEMBL8001544

SCHEMBL8001544

CCn1c(=O)c(O)c(OCC=C(C)C)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NOX4 Q9NPH5 3/20 0.38
SRC P12931 3/20 0.37
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CFTR P13569 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ACHE P22303 1/20 0.35
CYP1B1 Q16678 1/20 0.35
TNFRSF1A P19438 1/20 0.35

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
SCHEMBL7989024 0.92 TDP1 (0.42) CYP1A2KMT2AMAPTMEN1ALDH1A1
SCHEMBL7989017 0.92 TDP1 (0.42) CYP1A2KMT2AMAPTMEN1ALDH1A1
SCHEMBL7997313 0.90 ALDH1A1 (0.41) CYP1A2KMT2ALMNAMAPTMEN1
SCHEMBL7989001 0.89 CYP1A2 (0.44) CYP1A2KMT2ALMNAMAPTMEN1
SCHEMBL8001368 0.88 MAPT (0.44) CYP1A2KMT2ALMNAMAPTMEN1
SCHEMBL8001589 0.88 MAPT (0.44) CYP1A2KMT2ALMNAMAPTMEN1
SCHEMBL7997268 0.87 MAPT (0.39) CYP1A2KMT2ALMNAMAPTMEN1
SCHEMBL7988431 0.87 CYP1A2 (0.42) CYP1A2KMT2ALMNAMAPTMEN1
SCHEMBL7997461 0.87 CYP1A2 (0.42) CYP1A2KMT2ALMNAMAPTMEN1
SCHEMBL7997487 0.87 CYP1A2 (0.42) CYP1A2KMT2ALMNAMAPTMEN1

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