SCHEMBL6581152

SCHEMBL6581152

CCCCCCNc1ccc(C(=O)OC)c(N(C)C(=O)COC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.39
LMNA P02545 2/20 0.39
SCN5A Q14524 2/20 0.39
MAOA P21397 2/20 0.39
CYP1A2 P05177 1/20 0.39
CNR1 P21554 1/20 0.39
DRD4 P21917 1/20 0.39
ACHE P22303 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MAPK1 P28482 1/20 0.39
NTSR1 P30989 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SCN1A P35498 1/20 0.39
HTR2B P41595 1/20 0.39
SCN7A Q01118 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6579059 1.00 PLK1 (0.39) PLK1LMNASCN5AMAOACYP1A2
SCHEMBL6581270 0.94 KMT2A (0.42) PLK1LMNASCN5AMAOACYP1A2
SCHEMBL6581131 0.92 KDM4E (0.39) PLK1LMNASCN5AMAOACYP1A2
SCHEMBL6579076 0.86 HDAC8 (0.41) PLK1MAPK1CYP3A4TDP1EGFR
SCHEMBL6578828 0.85 KMT2A (0.45) PLK1LMNASCN5AMAOACYP1A2
SCHEMBL8302041 0.84 HDAC11 (0.35) PLK1LMNACYP1A2KDM4ECYP3A4
SCHEMBL6579935 0.83 LMNA (0.41) PLK1LMNASCN5AMAOACYP1A2
SCHEMBL6582112 0.83 LMNA (0.41) PLK1LMNASCN5AMAOACYP1A2
SCHEMBL6579475 0.83 LMNA (0.41) PLK1LMNASCN5AMAOACYP1A2
SCHEMBL6579032 0.83 LMNA (0.41) PLK1LMNASCN5AMAOACYP1A2

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
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed