SCHEMBL6576522

SCHEMBL6576522

CCOC(=O)c1ccc([N+](=O)[O-])cc1N(C)C(=O)COc1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 4/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6581391 0.92 SMN1; SMN2 (0.48) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6578873 0.91 SMN1; SMN2 (0.49) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6581968 0.89 KMT2A (0.49) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6581956 0.87 SMN1; SMN2 (0.54) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6579355 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6579313 0.83 SMN1; SMN2 (0.43) SMN1; SMN2MAPTCYP1A2CYP2D6KMT2A
SCHEMBL6578940 0.82 SMN1; SMN2 (0.49) SMN1; SMN2MAPTKMT2ATDP1ALDH1A1
SCHEMBL6582119 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKMT2ATDP1GAA
SCHEMBL8004126 0.81 SMN1; SMN2 (0.60) SMN1; SMN2MAPTKMT2APOLBTDP1
SCHEMBL7964554 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKMT2AGAAALDH1A1

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