SCHEMBL12065779

SCHEMBL12065779

CNS(=O)(=O)c1ccc(N2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.69
MAPT P10636 7/20 0.69
SMN1; SMN2 Q16637 6/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
RECQL P46063 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
GAA P10253 3/20 0.48
VCAM1 P19320 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MYD88 Q99836 1/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL9980413 0.83 MEN1 (0.45) LMNAMAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL12067909 0.81 MAPT (0.70) LMNAMAPTSMN1; SMN2PKMMAPK1
SCHEMBL9980456 0.80 MAPT (0.77) LMNAMAPTSMN1; SMN2PKMMAPK1
SCHEMBL1804544 0.79 MAPT (0.79) LMNAMAPTSMN1; SMN2PKMMAPK1
SCHEMBL12065803 0.75 MAPT (0.68) LMNAMAPTSMN1; SMN2PKMMAPK1
SCHEMBL12066385 0.75 MAPT (0.72) LMNAMAPTSMN1; SMN2PKMMAPK1
SCHEMBL12067935 0.75 MAPT (0.67) LMNAMAPTSMN1; SMN2PKMMAPK1
SCHEMBL3620493 0.72 LMNA (0.78) LMNAMAPTSMN1; SMN2PKMMAPK1
SCHEMBL12067109 0.72 LMNA (0.61) LMNAMAPTSMN1; SMN2PKMMAPK1
SCHEMBL9980389 0.70 MAPT (0.69) LMNAMAPTSMN1; SMN2PKMMAPK1

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

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