SCHEMBL7718405

SCHEMBL7718405

O=[N+]([O-])c1ccccc1-c1nc2cccc(C3OCCO3)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.52
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
F2 P00734 2/20 0.41
C1R P00736 1/20 0.41
PTGES O14684 1/20 0.39
KLK3 P07288 1/20 0.38
NPBWR1 P48145 2/20 0.37
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
PRSS1 P07477 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL7718401 0.82 GAA (0.62) GUSBGAAMGAMSIMGAM2
SCHEMBL7717955 0.80 NPC1 (0.50) GAAKMT2AMEN1MAPTALDH1A1
SCHEMBL7713539 0.77 MGAM (0.64) GUSBGAAMGAMSIMGAM2
SCHEMBL7719025 0.75 GUSB (0.57) GUSBGAAMGAMSIMGAM2
SCHEMBL7718414 0.74 GUSB (0.60) GUSBGAAMGAMSIMGAM2
SCHEMBL9044504 0.74 GUSB (0.56) GUSBGAAMGAMSIMGAM2
SCHEMBL7716962 0.73 GUSB (0.55) GUSBGAAMGAMSIMGAM2
SCHEMBL5486010 0.72 HTT (0.44) GAAKMT2AMEN1MAPTPLAU
SCHEMBL2872555 0.72 GUSB (0.68) GUSBGAAMGAMSIMGAM2
SCHEMBL31679095 0.72 GUSB (0.68) GUSBGAAMGAMSIMGAM2

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-6376664-B1 DETECTORS, CATALYST THE OHIO STATE UNIVERSITY 2002-04-23 US disclosed