SCHEMBL8220170

SCHEMBL8220170

C=C1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
POLB P06746 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PKM P14618 2/20 0.58
ALDH1A1 P00352 4/20 0.56
LMNA P02545 1/20 0.56
CYP2C9 P11712 2/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3830424 0.83 POLB (0.80) GAAPOLBPKMALDH1A1LMNA
SCHEMBL7122592 0.83 POLB (0.80) GAAPOLBPKMALDH1A1LMNA
SCHEMBL735657 0.83 POLB (0.80) GAAPOLBPKMALDH1A1LMNA
SCHEMBL3918890 0.82 KMT2A (0.68) GAAPOLBMEN1KMT2APKM
SCHEMBL13548367 0.81 PKM (0.66) GAAPOLBMEN1KMT2APKM
SCHEMBL8217521 0.81 PKM (0.64) POLBMEN1KMT2APKMALDH1A1
SCHEMBL13548567 0.81 KMT2A (0.72) POLBMEN1KMT2APKMALDH1A1
SCHEMBL8218091 0.81 PKM (0.54) MEN1KMT2APKMALDH1A1TSHR
SCHEMBL4526586 0.80 POLB (0.69) GAAPOLBPKMALDH1A1LMNA
SCHEMBL8211579 0.80 PKM (0.61) GAAMEN1KMT2APKMALDH1A1

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-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed