SCHEMBL1926046

SCHEMBL1926046

O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-].O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
GPR35 Q9HC97 2/20 0.71
TDP1 Q9NUW8 5/20 0.64
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.52
S100A4 P26447 2/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE10A Q9Y233 1/20 0.47
PTPRC P08575 1/20 0.47
ERN1 O75460 1/20 0.47
LMNA P02545 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL118464 1.00 TSHR (0.71) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27735242 0.97 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL7157905 0.97 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Water SCHEMBL27294140 0.97 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL29669769 0.97 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28144547 0.97 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Fluoride SCHEMBL29099623 0.97 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL7157907 0.97 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL28529002 0.97 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL31474432 0.95 TSHR (0.65) TSHRGPR35TDP1ALDH1A1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110256525-A1 COMPOSITIONS AND METHODS FOR PURIFYING AND CRYSTALLIZING MOLECULES OF INTEREST AFFISINK BIOTECHNOLOGY LTD. (IL) 2011-10-20 US disclosed
US-7956165-B2 Ligand and coordinating moiety for isolating preferential macromolecules in solution AFFISINK BIOTECHNOLOGY LTD. (IL) 2011-06-07 US disclosed
CN-101415721-A Compositions for purifying and crystallizing molecules of interest AFFISINK BIOTECHNOLOGY LTD (IL) 2009-04-22 CN disclosed
WO-2009010976-A2 COMPOSITIONS AND METHODS FOR PURIFYING AND CRYSTALLIZING MOLECULES OF INTEREST AFFISINK BIOTECHNOLOGY LTD. (IL) 2009-01-22 WO disclosed
US-20080108053-A1 Compositions and methods for purifying and crystallizing molecules of interest AFFISINK BIOTECHNOLOGY LTD. (IL) 2008-05-08 US disclosed
EP-1856528-A2 COMPOSITIONS AND METHODS FOR PURIFYING AND CRYSTALLIZING MOLECULES OF INTEREST Affisink Biotechnology Ltd. (IL) 2007-11-21 EP disclosed
WO-2006085321-A2 COMPOSITIONS AND METHODS FOR PURIFYING AND CRYSTALLIZING MOLECULES OF INTEREST AFFISINK BIOTECHNOLOGY LTD. (IL) 2006-08-17 WO disclosed
US-20060121519-A1 Compositions and methods for purifying and crystallizing molecules of interest AFFISINK BIOTECHNOLOGY LTD. (IL) 2006-06-08 US disclosed
EP-1648995-A2 COMPOSITIONS FOR PURIFYING AND CRYSTALLIZING MOLECULES OF INTEREST Affisink Biotechnology Ltd. (IL) 2006-04-26 EP disclosed
WO-2005010141-A2 COMPOSITIONS FOR PURIFYING AND CRYSTALLIZING MOLECULES OF INTEREST AFFISINK BIOTECHNOLOGY LTD. (IL) 2005-02-03 WO disclosed