SCHEMBL6581100

SCHEMBL6581100

C=CCCCCN(C(=O)COCCCC)c1cc([N+](=O)[O-])ccc1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 3/20 0.37
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 4/20 0.36
LSS P48449 2/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL6579864 0.96 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1TP53MAPT
SCHEMBL6582316 0.93 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1TP53MAPT
SCHEMBL6576899 0.91 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1TP53MAPT
SCHEMBL6579063 0.89 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1TP53MAPT
SCHEMBL6579241 0.88 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1TP53MAPT
SCHEMBL6579337 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TDP1TP53MAPT
SCHEMBL6579171 0.86 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1TP53MAPT
SCHEMBL6582332 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TDP1TP53MAPT
SCHEMBL6579676 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1TP53MAPT
SCHEMBL6578826 0.85 CYP1A2 (0.39) SMN1; SMN2ALDH1A1TDP1TP53MAPT

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