SCHEMBL6582296

SCHEMBL6582296

CCOC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
KMT2A Q03164 10/20 0.61
MEN1 O00255 8/20 0.61
MAPT P10636 7/20 0.61
CRHBP P24387 3/20 0.61
CRHR2 Q13324 3/20 0.61
GAA P10253 2/20 0.61
HTT P42858 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
THRB P10828 2/20 0.55
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 7/20 0.51
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL27711268 0.84 MAPT (0.65) SMN1; SMN2KMT2AMEN1MAPTCRHBP
SCHEMBL8004123 0.82 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL6581538 0.81 SMN1; SMN2 (0.76) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL6576745 0.80 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL11170835 0.80 NPSR1 (0.60) SMN1; SMN2KMT2AHTTL3MBTL1CYP1A2
SCHEMBL7997377 0.79 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL6586156 0.79 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AMEN1MAPTCRHBP
SCHEMBL1967194 0.79 ALDH1A1 (0.49) SMN1; SMN2KMT2AMEN1MAPTCRHBP
SCHEMBL6577276 0.78 SMN1; SMN2 (0.64) SMN1; SMN2KMT2AMEN1MAPTCRHBP
SCHEMBL1974278 0.78 L3MBTL1 (0.50) SMN1; SMN2KMT2AMEN1MAPTCRHBP

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