SCHEMBL8001653

SCHEMBL8001653

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
CYP1A2 P05177 2/20 0.34
PSMD14 O00487 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 5/20 0.33
TDP2 O95551 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 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
SCHEMBL8001233 0.96 MEN1 (0.42) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7997380 0.96 MEN1 (0.42) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7997581 0.93 MAPT (0.38) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7997574 0.93 MAPT (0.38) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7998932 0.91 CYP1A2 (0.41) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7997009 0.90 CNR1 (0.39) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7998876 0.90 MAPT (0.42) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7989424 0.90 MAPT (0.38) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8000751 0.90 MAPT (0.38) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8000754 0.90 MAPT (0.38) 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