SCHEMBL8210784

SCHEMBL8210784

C=C1CCN(S(=O)(=O)c2ccc(CCCC)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD4 P01730 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 1/20 0.54
CA2 P00918 2/20 0.50
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
USP2 O75604 1/20 0.47
IKBKB O14920 1/20 0.45
CHUK O15111 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
SCHEMBL12626178 0.87 KMT2A (0.56) CD4SMN1; SMN2LMNACA2FAAH
SCHEMBL4377739 0.82 GAA (0.59) CD4SMN1; SMN2LMNACA2FAAH
SCHEMBL10726957 0.82 SMN1; SMN2 (0.58) SMN1; SMN2LMNACA2FAAHMGLL
SCHEMBL13995367 0.81 LMNA (0.64) SMN1; SMN2LMNAL3MBTL1
SCHEMBL4383741 0.79 SMN1; SMN2 (0.56) SMN1; SMN2LMNACA2FAAHMGLL
SCHEMBL7861726 0.78 L3MBTL1 (0.63) SMN1; SMN2LMNACA2TSHRMAPK1
SCHEMBL13548367 0.77 PKM (0.66) CD4SMN1; SMN2LMNATSHR
SCHEMBL7856526 0.76 LMNA (0.61) SMN1; SMN2LMNA
SCHEMBL8219895 0.75 GAA (0.71) CD4SMN1; SMN2LMNATSHRMAPK1
SCHEMBL15010487 0.75 USP2 (0.63) TSHRMAPK1RECQLL3MBTL1USP2

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