SCHEMBL8002267

SCHEMBL8002267

CCCCCCCCn1c(=O)c(OC=O)c(OCCCC)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR1 P21554 2/20 0.45
ACHE P22303 2/20 0.45
CNR2 P34972 2/20 0.45
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
CYP19A1 P11511 4/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALK Q9UM73 1/20 0.37
POLB P06746 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
SCHEMBL8005117 1.00 MAPT (0.46) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8000892 0.98 CNR1 (0.47) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7999061 0.98 CNR1 (0.47) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8000829 0.96 CNR1 (0.45) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7989002 0.96 CNR1 (0.41) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8004382 0.92 MAPT (0.51) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7988981 0.92 MAPT (0.51) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7999851 0.91 CNR1 (0.43) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7999442 0.91 MAPT (0.47) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8000802 0.91 MAPT (0.47) MAPTMEN1KMT2ACNR1ACHE

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