SCHEMBL7998670

SCHEMBL7998670

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 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
SCHEMBL8004127 0.87 CYP1A2 (0.45) MAPTPOLBHTR1AALDH1A1IDO1
SCHEMBL8000556 0.87 HTR1A (0.43) MAPTMAPK1HTTPOLBHTR1A
SCHEMBL7997678 0.86 MEN1 (0.43) MAPTHTR1AALDH1A1IDO1MEN1
SCHEMBL7998950 0.85 HTR1A (0.37) MAPTMAPK1HTTPOLBHTR1A
SCHEMBL8001687 0.84 MAPT (0.45) MAPTHTTHTR1AALDH1A1IDO1
SCHEMBL7997255 0.84 MAPT (0.45) MAPTHTTHTR1AALDH1A1IDO1
SCHEMBL7988394 0.83 MAPT (0.45) MAPTMAPK1HTTPOLBALDH1A1
SCHEMBL8004219 0.83 CNR1 (0.41) MAPTMAPK1HTTPOLBHTR1A
SCHEMBL7998954 0.83 HTR1A (0.36) MAPTMAPK1HTTPOLBHTR1A
SCHEMBL7988582 0.82 ALDH1A1 (0.45) MAPTMAPK1HTTPOLBALDH1A1

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
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