SCHEMBL8536587

SCHEMBL8536587

O=S(=O)([O-])CCN1CCN(CCS(=O)(=O)[O-])CC1.[Cu+2]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 2/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
THPO P40225 1/20 0.33
HBB P68871 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
BBOX1 O75936 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4455864 0.95 ALOX15 (0.42) ALOX15MAPTKDM4EALDH1A1MAPK1
Potassium Ion SCHEMBL9897196 0.95 ALOX15 (0.36) ALOX15MAPTKDM4EALDH1A1MAPK1
Water SCHEMBL9983319 0.92 MAPT (0.40) ALOX15MAPTKDM4EALDH1A1MAPK1
SCHEMBL30743597 0.84 KDM4E (0.34) ALOX15MAPTKDM4EALDH1A1MAPK1
SCHEMBL3365753 0.84 ALDH1A1 (0.42) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL29552462 0.84 ALDH1A1 (0.42) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL5447715 0.84 KDM4E (0.34) ALOX15MAPTKDM4EALDH1A1MAPK1
SCHEMBL14894927 0.84 ALDH1A1 (0.42) MAPTKDM4EALDH1A1LMNAKMT2A
Potassium Ion SCHEMBL366682 0.84 ALDH1A1 (0.42) MAPTKDM4EALDH1A1LMNAKMT2A
SCHEMBL3904265 0.84 ALDH1A1 (0.42) ALOX15MAPTKDM4EALDH1A1MAPK1

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
US-5777408-A Exciter current line in the rotor of an electric machine ASEA BROWN BOVERI AG (CH) 1998-07-07 US disclosed