SCHEMBL3389366

SCHEMBL3389366

O=C(O)c1c(B(O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
TSHR P16473 4/20 0.51
GPR35 Q9HC97 2/20 0.46
APEX1 P27695 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERN1 O75460 1/20 0.41
PLK1 P53350 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
FBP1 P09467 1/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1554602 0.83 TDP1 (0.75) TDP1L3MBTL1TSHRGPR35APEX1
SCHEMBL3986801 0.82 TDP1 (0.47) TDP1L3MBTL1TSHRGPR35SMN1; SMN2
Hydrogen Sulfide SCHEMBL28004578 0.80 TDP1 (0.70) TDP1L3MBTL1TSHRGPR35APEX1
SCHEMBL33666 0.79 TDP1 (1.00) TDP1L3MBTL1TSHRGPR35SMN1; SMN2
SCHEMBL1585523 0.79 TDP1 (1.00) TDP1L3MBTL1TSHRGPR35SMN1; SMN2
SCHEMBL28117 0.77 HSD17B10 (0.54) TDP1TSHRGPR35SMN1; SMN2ERN1
SCHEMBL29614987 0.77 HSD17B10 (0.54) TDP1TSHRGPR35SMN1; SMN2ERN1
SCHEMBL15869336 0.77 TDP1 (0.66) TDP1L3MBTL1TSHRGPR35SMN1; SMN2
SCHEMBL4962627 0.77 TDP1 (0.66) TDP1L3MBTL1TSHRGPR35APEX1
SCHEMBL6500391 0.77 TDP1 (0.67) TDP1L3MBTL1TSHRGPR35SMN1; SMN2

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-2223133-A1 MAGNETIC RESONANCE SYSTEM WITH IMPLANTABLE COMPONENTS AND METHODS OF USE THEREOF T2 Biosystems, Inc. (US) 2010-09-01 EP disclosed
WO-2009085214-A1 MAGNETIC RESONANCE SYSTEM WITH IMPLANTABLE COMPONENTS AND METHODS OF USE THEREOF T2 BIOSYSTEMS, INC. (US) 2009-07-09 WO disclosed