SCHEMBL6579586

SCHEMBL6579586

CCOC(=O)c1ccc([N+](=O)[O-])cc1N(Cc1ccccc1)C(=O)COC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 2/20 0.48
AR P10275 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.42
ELANE P08246 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6579645 0.90 AR (0.48) SMN1; SMN2MAPK1ARMAPTCYP1A2
SCHEMBL6578922 0.87 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1MAPTCYP1A2CYP2D6
SCHEMBL6579278 0.87 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1ARMAPTALDH1A1
SCHEMBL6576729 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1MAPTCYP1A2CYP2D6
SCHEMBL6580962 0.82 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1MAPTCYP1A2CYP2D6
SCHEMBL6581956 0.82 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1ARMAPTCYP1A2
SCHEMBL6577291 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1MAPTCYP1A2CYP2D6
SCHEMBL6577257 0.78 L3MBTL1 (0.51) SMN1; SMN2MAPK1ARMAPTALDH1A1
SCHEMBL6582192 0.78 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1ARMAPTALDH1A1
SCHEMBL6578789 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1ARMAPTALDH1A1

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