SCHEMBL6577093

SCHEMBL6577093

CCCCCCCCN(C(=O)COCc1ccc(O)cc1)c1cc([N+](=O)[O-])ccc1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KCNH2 Q12809 2/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
MAOB P27338 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 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
SCHEMBL6582192 0.93 SMN1; SMN2 (0.42) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6576899 0.88 SMN1; SMN2 (0.46) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6579240 0.85 CA12 (0.39) SMN1; SMN2KCNH2KMT2ANPC1CA12
SCHEMBL6579278 0.85 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1KMT2ATDP1ALDH1A1
SCHEMBL6586138 0.84 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1KMT2ACA12CA1
SCHEMBL6579094 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6577428 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6579175 0.84 SMN1; SMN2 (0.47) SMN1; SMN2KCNH2L3MBTL1KMT2ANPC1
SCHEMBL6579241 0.84 SMN1; SMN2 (0.44) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6578971 0.81 POLB (0.40) SMN1; SMN2KCNH2KMT2ATDP1ALDH1A1

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