SCHEMBL6411508

SCHEMBL6411508

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC1)CC(OC(=O)NCCN(C)C)=NO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 3/20 0.42
EPHX2 P34913 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
PDE2A O00408 1/20 0.35
PDE5A O76074 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
APEX1 P27695 1/20 0.35
PDE4A P27815 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
SCHEMBL6410922 0.88 POLB (0.38) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL2404605 0.87 L3MBTL1 (0.47) L3MBTL1LMNAEPHX2MAPTSMN1; SMN2
SCHEMBL6411644 0.85 L3MBTL1 (0.53) L3MBTL1LMNAEPHX2MAPTSMN1; SMN2
SCHEMBL6411481 0.82 POLB (0.44) HTTALDH1A1GAAPOLBCYP3A4
SCHEMBL6409957 0.80 KMT2A (0.45) L3MBTL1MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL6414941 0.78 TP53 (0.38) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL6411638 0.78 L3MBTL1 (0.57) L3MBTL1LMNAEPHX2MAPTSMN1; SMN2
SCHEMBL2400766 0.76 L3MBTL1 (0.45) L3MBTL1LMNAEPHX2MAPTSMN1; SMN2
SCHEMBL2402512 0.75 EPHX2 (0.49) L3MBTL1LMNAEPHX2MAPTSMN1; SMN2
SCHEMBL2404658 0.74 POLB (0.41) LMNAMAPTSMN1; SMN2HTTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed