SCHEMBL8004828

SCHEMBL8004828

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.40
CYP1A2 P05177 2/20 0.39
PSMD14 O00487 1/20 0.39
NPC1 O15118 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 8/20 0.38
TDP2 O95551 3/20 0.38
CNR1 P21554 2/20 0.38
ACHE P22303 2/20 0.38
CNR2 P34972 2/20 0.38
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7998939 0.96 MAPT (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7997345 0.96 MAPT (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7997500 0.92 CNR1 (0.40) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7997858 0.90 CNR1 (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8000749 0.90 CYP1A2 (0.45) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL7997905 0.89 CNR1 (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8001878 0.89 MAPT (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8001706 0.89 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7999456 0.89 CNR1 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7988509 0.89 MAPT (0.45) MAPTMEN1KMT2ALMNACYP1A2

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