SCHEMBL6576908

SCHEMBL6576908

C=CCOCC(=O)N(CCC)c1cc([N+](=O)[O-])ccc1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL6579764 0.87 SMN1; SMN2 (0.48) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6579063 0.87 SMN1; SMN2 (0.44) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6582316 0.85 SMN1; SMN2 (0.45) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6577428 0.84 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6579094 0.84 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6579883 0.84 CYP1A2 (0.38) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6581100 0.83 SMN1; SMN2 (0.42) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6579864 0.83 SMN1; SMN2 (0.42) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6582332 0.81 SMN1; SMN2 (0.43) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL6580962 0.81 SMN1; SMN2 (0.48) SMN1; SMN2TDP1MAPTALDH1A1MEN1

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