SCHEMBL9980458

SCHEMBL9980458

CNS(=O)(=O)c1ccc(N2CCCCC2CCO)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
LMNA P02545 3/20 0.60
VCAM1 P19320 1/20 0.44
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.39

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
SCHEMBL9980400 0.92 MAPT (0.63) MAPTLMNAVCAM1ALDH1A1KDM4E
SCHEMBL9978263 0.88 MAPT (0.58) MAPTLMNAVCAM1ALDH1A1KDM4E
SCHEMBL9980398 0.86 MAPT (0.60) MAPTLMNAVCAM1ALDH1A1KDM4E
SCHEMBL12065552 0.84 MAPT (0.44) MAPTLMNAALDH1A1KDM4EHPGD
SCHEMBL31022863 0.80 LMNA (0.46) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL12067991 0.79 MAPT (0.66) MAPTLMNAVCAM1ALDH1A1KDM4E
SCHEMBL29512840 0.78 KMT2A (0.46) LMNAALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL12067109 0.76 LMNA (0.61) MAPTLMNAVCAM1ALDH1A1KDM4E
SCHEMBL12067050 0.75 MAPT (0.46) MAPTLMNAALDH1A1KDM4EHPGD
SCHEMBL9980456 0.72 MAPT (0.77) MAPTLMNAVCAM1ALDH1A1SMN1; SMN2

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