SCHEMBL6579430

SCHEMBL6579430

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
THRB P10828 1/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 1/20 0.38
ICMT O60725 3/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.35
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CDK2 P24941 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL6579348 0.91 SMN1; SMN2 (0.45) MAPTTHRBPOLBTP53ALDH1A1
SCHEMBL6579338 0.91 SMN1; SMN2 (0.45) MAPTTHRBPOLBTP53ALDH1A1
SCHEMBL6579558 0.77 SMN1; SMN2 (0.41) MAPTTHRBPOLBTP53ALDH1A1
SCHEMBL6579551 0.77 SMN1; SMN2 (0.41) MAPTTHRBPOLBTP53ALDH1A1
SCHEMBL6578885 0.76 MAOB (0.38) MAPTALDH1A1KDM4EHSD17B10
SCHEMBL6576816 0.76 TRPV1 (0.38) MAPTALDH1A1KMT2ALMNACYP1A2
SCHEMBL6578891 0.76 MAOB (0.38) MAPTALDH1A1KDM4EHSD17B10
SCHEMBL6576810 0.76 TRPV1 (0.38) MAPTALDH1A1KMT2ALMNACYP1A2
SCHEMBL7975957 0.75 SMN1; SMN2 (0.45) MAPTTHRBPOLBALDH1A1SMN1; SMN2
SCHEMBL7975956 0.75 SMN1; SMN2 (0.45) MAPTTHRBPOLBALDH1A1SMN1; SMN2

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 3 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-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