SCHEMBL6581391

SCHEMBL6581391

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 5/20 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 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 1/20 0.43
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL6576522 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
SCHEMBL6579175 0.87 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKMT2AMEN1TP53
SCHEMBL6586138 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6581956 0.85 SMN1; SMN2 (0.54) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6579745 0.83 LMNA (0.48) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6578940 0.82 SMN1; SMN2 (0.49) SMN1; SMN2MAPTKMT2AMEN1TP53
SCHEMBL6582119 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKMT2AMEN1TP53
SCHEMBL8004126 0.81 SMN1; SMN2 (0.60) SMN1; SMN2MAPTKMT2ALMNAMEN1

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