SCHEMBL8580652

SCHEMBL8580652

O=[N+]([O-])C(CCCCCCCCCOCCCCCCCCCC(c1ccccc1)[N+](=O)[O-])c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 3/20 0.33
ADAM17 P78536 1/20 0.33
MAPT P10636 2/20 0.32
CYP19A1 P11511 1/20 0.32
BCHE P06276 1/20 0.31
TLR2 O60603 1/20 0.31
RAB9A P51151 2/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL7165230 1.00 GSR (0.38) GSRSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3191417 1.00 GSR (0.38) GSRSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL8579305 1.00 GSR (0.38) GSRSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL896260 1.00 GSR (0.38) GSRSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL17966116 1.00 GSR (0.38) GSRSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL620126 0.98 GSR (0.39) GSRSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL11743451 0.82 NAAA (0.41) MEN1KMT2ACYP19A1ALDH1A1CNR2
SCHEMBL8089501 0.78 POLB (0.43) GSRNPC1ADAM17ALDH1A1CNR2
SCHEMBL5610024 0.78 FOLH1 (0.40) GSRMEN1KMT2ANPC1ADAM17
SCHEMBL5594550 0.75 GSR (0.44) GSRSMN1; SMN2MEN1KMT2ANPC1

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
WO-1998010852-A1 SUPPORTED LIQUID MEMBRANE SEPARATION COMMODORE SEPARATION TECHNOLOGIES, INC. (US) 1998-03-19 WO claimed
WO-2016126593-A1 IMPROVED MAGNESIUM ION SELECTIVE MEMBRANES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-08-11 WO disclosed