SCHEMBL8000736

SCHEMBL8000736

CCCCCCCCn1c(=O)c(OC(C)C)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
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
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
TDP1 Q9NUW8 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
SCHEMBL8004389 1.00 MAPT (0.46) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7997262 0.98 CNR1 (0.47) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8004904 0.98 CNR1 (0.47) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8001185 0.96 CNR1 (0.45) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7997746 0.96 CNR1 (0.41) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7988981 0.92 MAPT (0.51) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8004382 0.92 MAPT (0.51) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8001037 0.91 MAPT (0.47) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL8001815 0.91 MAPT (0.47) MAPTMEN1KMT2ACNR1ACHE
SCHEMBL7997512 0.91 CNR1 (0.43) 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