SCHEMBL9980389

SCHEMBL9980389

CNS(=O)(=O)c1ccc(N2CCCC(OC)C2)c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.69
LMNA P02545 6/20 0.69
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
GAA P10253 3/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 2/20 0.46
VCAM1 P19320 1/20 0.45
PKM P14618 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL12066385 0.87 MAPT (0.72) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL9980392 0.84 MEN1 (0.51) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL12065803 0.82 MAPT (0.68) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL9980456 0.78 MAPT (0.77) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL23850443 0.78 LMNA (0.71) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL12067935 0.77 MAPT (0.67) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL12067991 0.77 MAPT (0.66) MAPTLMNAALDH1A1CYP3A4CYP2C9
SCHEMBL9980398 0.75 MAPT (0.60) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL12067909 0.75 MAPT (0.70) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL1804544 0.75 MAPT (0.79) MAPTLMNAALDH1A1MEN1KMT2A

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