SCHEMBL8723804

SCHEMBL8723804

[CH2]CCc1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
GAA P10253 2/20 0.68
POLB P06746 2/20 0.63
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
TSHR P16473 1/20 0.56
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.53
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL8724926 0.87 POLB (0.67) LMNAGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL4384921 0.84 LMNA (0.68) LMNAGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL27728086 0.84 LMNA (0.68) LMNAGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL13176134 0.84 LMNA (0.68) LMNAGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL12793245 0.83 POLB (0.88) LMNAGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL13995367 0.82 LMNA (0.64) LMNAGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL8730265 0.81 SMN1; SMN2 (0.71) LMNAPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL8726108 0.81 MAPT (0.59) LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL4050436 0.81 POLB (0.67) LMNAGAAPOLBALDH1A1SMN1; SMN2
SCHEMBL7903516 0.81 POLB (0.67) LMNAGAAPOLBALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP disclosed