SCHEMBL8220120

SCHEMBL8220120

C=C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PKM P14618 1/20 0.55
PKLR P30613 1/20 0.55
CYP3A4 P08684 2/20 0.48
GRM5 P41594 1/20 0.48
EPHX2 P34913 1/20 0.48
CCR6 P51684 2/20 0.47
MAPT P10636 1/20 0.46
HSD11B1 P28845 1/20 0.46
USP2 O75604 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
GBA1 P04062 1/20 0.44
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44

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
SCHEMBL12656054 0.85 KMT2A (0.63) GAAL3MBTL1PKMPKLRCYP3A4
SCHEMBL13271173 0.83 USP2 (0.62) GAAL3MBTL1PKMPKLREPHX2
SCHEMBL8220526 0.82 AKR1C3 (0.50) PKMPKLRKMT2AMEN1ALDH1A1
SCHEMBL3633792 0.81 USP2 (0.71) GAAL3MBTL1PKMPKLREPHX2
SCHEMBL15231766 0.80 MAPT (0.65) GAAL3MBTL1PKMPKLRCYP3A4
SCHEMBL2299332 0.79 KMT2A (0.51) GAAL3MBTL1PKMPKLRCYP3A4
SCHEMBL5338240 0.79 POLB (0.67) GAAL3MBTL1PKMPKLRKMT2A
SCHEMBL16627264 0.79 ATM (0.63) GAAL3MBTL1PKMPKLRUSP2
Hydrochloric Acid SCHEMBL3246796 0.79 MAPT (0.63) GAAL3MBTL1PKMPKLRCYP3A4
SCHEMBL13548367 0.78 PKM (0.66) GAAPKMHSD11B1KMT2AMEN1

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