SCHEMBL7718401

SCHEMBL7718401

O=[N+]([O-])c1ccccc1-c1nc2c(C3OCCO3)cccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.62
MGAM O43451 4/20 0.62
SI P14410 4/20 0.62
MGAM2 Q2M2H8 4/20 0.62
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
PTGES O14684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
GUSB P08236 1/20 0.44
PDE5A O76074 1/20 0.39
F2 P00734 2/20 0.36
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
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
C1R P00736 1/20 0.36

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
SCHEMBL7718405 0.82 GUSB (0.52) GAAMGAMSIMGAM2PTGES
SCHEMBL7717951 0.80 GAA (0.50) GAAMGAMSIMGAM2MAPT
SCHEMBL6511414 0.77 MGAM (1.00) GAAMGAMSIMGAM2PKN1
SCHEMBL7718410 0.75 MGAM (0.69) GAAMGAMSIMGAM2PKN1
SCHEMBL7719023 0.75 MGAM (0.69) GAAMGAMSIMGAM2PKN1
SCHEMBL9044494 0.74 MGAM (0.71) GAAMGAMSIMGAM2PKN1
SCHEMBL7719043 0.73 HSD11B1 (0.39) GAAMGAMSIMGAM2MAPT
SCHEMBL29412040 0.73 PARP1 (0.66) GAAMGAMSIMGAM2PKN1
SCHEMBL5486010 0.72 HTT (0.44) GAAPLAUKMT2AMEN1MAPT
SCHEMBL2872555 0.72 GUSB (0.68) GAAMGAMSIMGAM2PTGES

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