SCHEMBL9980400

SCHEMBL9980400

CNS(=O)(=O)c1ccc(N2CCCCC2CO)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
LMNA P02545 3/20 0.63
VCAM1 P19320 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
HTT P42858 2/20 0.42
CUL4A Q13619 1/20 0.41

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
SCHEMBL9980458 0.92 MAPT (0.60) MAPTLMNAVCAM1SMN1; SMN2GAA
SCHEMBL31022863 0.88 LMNA (0.46) MAPTLMNASMN1; SMN2GAAMAPK1
SCHEMBL9980398 0.88 MAPT (0.60) MAPTLMNAVCAM1SMN1; SMN2GAA
SCHEMBL9978263 0.86 MAPT (0.58) MAPTLMNAVCAM1SMN1; SMN2GAA
SCHEMBL12067050 0.84 MAPT (0.46) MAPTLMNASMN1; SMN2GAAALDH1A1
SCHEMBL12067991 0.81 MAPT (0.66) MAPTLMNAVCAM1SMN1; SMN2GAA
SCHEMBL12067109 0.80 LMNA (0.61) MAPTLMNAVCAM1SMN1; SMN2GAA
SCHEMBL29512894 0.77 CUL4A (0.49) LMNASMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL12065552 0.75 MAPT (0.44) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL29550869 0.74 ALDH1A1 (0.43) MAPTLMNASMN1; SMN2GAAALDH1A1

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
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed