SCHEMBL609222

SCHEMBL609222

O=[N+]([O-])OP(=O)(O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.83
CES2 O00748 1/20 0.83
CA1 P00915 4/20 0.71
CA2 P00918 3/20 0.71
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 2/20 0.51
AKR1C3 P42330 1/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSPB1 P04792 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL223704 0.91 CES1 (1.00) CES1CES2CA1CA2BCHE
Water SCHEMBL9045475 0.89 CES1 (0.96) CES1CES2CA1CA2BCHE
SCHEMBL11588711 0.89 CES1 (0.96) CES1CES2CA1CA2BCHE
Bromide SCHEMBL11420868 0.89 CES1 (0.96) CES1CES2CA1CA2BCHE
SCHEMBL11588705 0.89 CES1 (0.96) CES1CES2CA1CA2BCHE
SCHEMBL5246741 0.84 CES1 (0.86) CES1CES2CA1CA2BCHE
SCHEMBL4823833 0.84 CES2 (0.80) CES1CES2CA1CA2BCHE
SCHEMBL233887 0.84 CES2 (0.86) CES1CES2CA1CA2BCHE
SCHEMBL2040099 0.84 CES2 (0.80) CES1CES2CA1CA2BCHE
SCHEMBL4816750 0.84 CES1 (0.80) CES1CES2CA1CA2BCHE

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9763890-B2 Bacterial ghosts as carrier and targeting vehicles WERNER LUBITZ (AT) 2017-09-19 US disclosed
US-20160220499-A1 BACTERIAL GHOSTS AS CARRIER AND TARGETING VEHICLES Lubitz, Werner (AT) 2016-08-04 US disclosed
US-20120040829-A1 BACTERIAL GHOSTS AS CARRIER AND TARGETING VEHICLES Lubitz, Werner (AT) 2012-02-16 US disclosed
US-20030166568-A1 Organic compounds NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2003-09-04 US disclosed
EP-1158966-B1 LOADED BACTERIAL GHOSTS AS CARRIER AND TARGETING VEHICLES LUBITZ WERNER (AT) 2003-06-11 EP disclosed
EP-1269198-A2 IDENTIFICATION OF MAST/BASOPHIL ACTIVATION INHIBITORS Novartis AG (CH) 2003-01-02 EP disclosed
EP-1158966-A1 BACTERIAL GHOSTS AS CARRIER AND TARGETING VEHICLES Lubitz, Werner, Dr. (AT) 2001-12-05 EP disclosed
WO-2001071342-A2 IDENTIFICATION OF MAST CELL/BASOPHIL ACTIVATION INHIBITORS NOVARTIS AG (CH) 2001-09-27 WO disclosed
WO-2000053163-A1 BACTERIAL GHOSTS AS CARRIER AND TARGETING VEHICLES LUBITZ WERNER (AT) 2000-09-14 WO disclosed
US-5350677-A Sampling and reaction, measuring color IATRON LABORATORIES, INC. (JP) 1994-09-27 US disclosed
EP-0411159-A1 METHOD FOR DETERMINING ENZYMATIC ACTIVITY IATRON LABORATORIES, INC. (JP) 1991-02-06 EP disclosed