SCHEMBL6166918

SCHEMBL6166918

CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
BRD4 O60885 3/20 0.52
SFRP1 Q8N474 6/20 0.50
CCR8 P51685 1/20 0.50
DRD2 P14416 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
WNT3 P56703 2/20 0.47
USP30 Q70CQ3 2/20 0.47
MET P08581 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
EPHX2 P34913 1/20 0.44
THRB P10828 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
SCHEMBL31615446 1.00 MEN1 (0.55) MEN1KMT2ABRD4SFRP1CCR8
SCHEMBL4122520 1.00 MEN1 (0.55) MEN1KMT2ABRD4SFRP1CCR8
SCHEMBL18230360 0.94 MEN1 (0.58) MEN1KMT2ABRD4SFRP1CCR8
SCHEMBL2107778 0.94 MEN1 (0.60) MEN1KMT2ABRD4SFRP1CCR8
SCHEMBL31234802 0.94 MEN1 (0.60) MEN1KMT2ABRD4SFRP1CCR8
SCHEMBL4101640 0.85 MEN1 (0.62) MEN1KMT2ADRD2ADRA1DADRA1A
SCHEMBL4101645 0.85 MEN1 (0.62) MEN1KMT2ADRD2ADRA1DADRA1A
SCHEMBL30099305 0.83 ALDH1A1 (0.53) BRD4SFRP1CCR8USP30ALDH1A1
SCHEMBL13696749 0.83 ALDH1A1 (0.53) BRD4SFRP1CCR8USP30ALDH1A1
SCHEMBL15932401 0.83 BRD4 (0.55) BRD4SFRP1CCR8USP30MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494670-A1 MEDICINE FOR TREATING CANCER Kowa Co., Ltd. (JP) 2005-01-12 EP disclosed
WO-2003086397-A1 MEDICINE FOR TREATING CANCER KOWA CO., LTD. (JP) 2003-10-23 WO disclosed