SCHEMBL6581984

SCHEMBL6581984

CCOc1c(O)c2c(NC(C)=O)cccc2n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
USP2 O75604 1/20 0.38
MAPK8 P45983 1/20 0.38
POLB P06746 1/20 0.38
PABPC1 P11940 1/20 0.38
HPGD P15428 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
SCHEMBL6580908 0.82 GAA (0.38) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL6580910 0.82 GAA (0.38) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL6579041 0.79 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL7977916 0.73 HDAC6 (0.44) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL8831028 0.70 KMT2A (0.43) ALDH1A1MEN1KMT2ACASP1CASP7
Adosopine SCHEMBL2109279 0.69 MAPT (0.50) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL7884310 0.68 TSHR (0.46) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL6581127 0.67 KDM4E (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL3931825 0.66 TDP1 (0.51) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL1645837 0.64 GAA (0.73) ALDH1A1MEN1KMT2ACYP2C19MAPT

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