SCHEMBL9980456

SCHEMBL9980456

CNS(=O)(=O)c1ccc(N2CCC(F)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.77
LMNA P02545 6/20 0.77
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
PKM P14618 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
HTT P42858 2/20 0.53
GAA P10253 4/20 0.53
MAPK1 P28482 1/20 0.53
VCAM1 P19320 1/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
TP53 P04637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48

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
SCHEMBL12067909 0.88 MAPT (0.70) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL12066385 0.87 MAPT (0.72) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL1804544 0.86 MAPT (0.79) MAPTLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL23850890 0.86 MAPT (0.58) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL12067935 0.84 MAPT (0.67) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL12065803 0.82 MAPT (0.68) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL12067920 0.81 MEN1 (0.49) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL12065779 0.80 LMNA (0.69) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL9980389 0.78 MAPT (0.69) MAPTLMNACYP3A4CYP2C9CYP2C19
SCHEMBL12067991 0.78 MAPT (0.66) MAPTLMNACYP3A4CYP2C9CYP2C19

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