SCHEMBL6577085

SCHEMBL6577085

CCOc1c(O)c2ccc(N)cc2n(C/C=C(\C)CCC=C(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.42
ALOX15 P16050 5/20 0.38
TDP1 Q9NUW8 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP2C19 P33261 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6577089 1.00 PSEN1 (0.42) PSEN1ALOX15TDP1CYP3A4CYP2E1
SCHEMBL7988449 0.86 TDP1 (0.44) ALOX15TDP1CYP3A4CYP2E1CYP2D6
SCHEMBL7988453 0.86 TDP1 (0.44) ALOX15TDP1CYP3A4CYP2E1CYP2D6
SCHEMBL8004451 0.83 TDP1 (0.42) ALOX15TDP1CYP3A4CYP2E1CYP2D6
SCHEMBL8004455 0.83 TDP1 (0.42) ALOX15TDP1CYP3A4CYP2E1CYP2D6
SCHEMBL7989045 0.82 BACE1 (0.41) ALOX15TDP1CYP3A4CYP2E1CYP2D6
SCHEMBL8001963 0.82 BACE1 (0.41) ALOX15TDP1CYP3A4CYP2E1CYP2D6
SCHEMBL7989038 0.82 BACE1 (0.41) ALOX15TDP1CYP3A4CYP2E1CYP2D6
SCHEMBL8001960 0.82 BACE1 (0.41) ALOX15TDP1CYP3A4CYP2E1CYP2D6
SCHEMBL7977894 0.80 VKORC1 (0.36) PSEN1ALOX15TDP1CYP3A4CYP2C9

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