SCHEMBL6576852

SCHEMBL6576852

COc1c(O)c2cc(NCc3ccc(C)c(C)c3)ccc2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
RAB9A P51151 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SCD O00767 2/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43

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
SCHEMBL6576851 0.87 TUBB4A (0.42) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL6579081 0.78 ALDH1A1 (0.48) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL6581774 0.78 KDM4E (0.43) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL6579667 0.77 GAA (0.50) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL6581059 0.77 MEN1 (0.46) NPC1ALDH1A1GAAKDM4ETSHR
SCHEMBL7978061 0.76 GSK3B (0.42) ALDH1A1GAAKDM4EL3MBTL1HSD17B10
SCHEMBL7977901 0.75 ALDH1A1 (0.52) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL7975938 0.74 KDM4E (0.43) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL7978025 0.71 ALDH1A1 (0.45) ALDH1A1GAAKDM4ETSHRTDP1
SCHEMBL6579290 0.71 APP (0.39) ALDH1A1GAAKDM4E

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