SCHEMBL7998312

SCHEMBL7998312

CCCCn1c(=O)c(OC(C)=O)c(OC)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 8/20 0.38
POLB P06746 1/20 0.38
CNR2 P34972 2/20 0.38
TDP2 O95551 1/20 0.38
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL7998727 0.96 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7997648 0.96 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8004579 0.91 CNR1 (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7997731 0.91 MAPT (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8001706 0.90 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7997249 0.89 CYP1A2 (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7999941 0.89 CNR1 (0.44) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7988296 0.89 MEN1 (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8000520 0.88 CNR1 (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7999860 0.87 CNR1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E

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