SCHEMBL6576871

SCHEMBL6576871

COCC(=O)N(CCO)c1cc([N+](=O)[O-])ccc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 3/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL6576729 0.91 SMN1; SMN2 (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL6577291 0.88 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL6583833 0.84 KMT2A (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL6578758 0.83 CYP1A2 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL6578922 0.81 SMN1; SMN2 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL6579295 0.81 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL6578971 0.78 POLB (0.40) ALDH1A1KMT2ASMN1; SMN2TDP1HTT
SCHEMBL6581460 0.76 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2TDP1HTT
SCHEMBL6580962 0.76 SMN1; SMN2 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL6579586 0.75 SMN1; SMN2 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1

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