SCHEMBL1459050

SCHEMBL1459050

O=[N+]([O-])c1ccc(C(F)(F)F)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.51
VEGFA P15692 1/20 0.50
TSHR P16473 5/20 0.49
CYP3A4 P08684 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 2/20 0.49
TXNRD1 Q16881 2/20 0.49
TXNRD3 Q86VQ6 2/20 0.49
TXNRD2 Q9NNW7 2/20 0.49
HPGD P15428 1/20 0.49
HIF1A Q16665 1/20 0.49
SIRT6 Q8N6T7 1/20 0.39
MAPK1 P28482 2/20 0.39
AR P10275 2/20 0.38
CES2 O00748 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL15966898 0.86 TSHR (0.49) EPAS1VEGFATSHRCYP3A4TDP1
SCHEMBL9350040 0.85 TDP1 (0.57) EPAS1VEGFATSHRCYP3A4TDP1
SCHEMBL374327 0.84 EPAS1 (0.52) EPAS1VEGFATSHRCYP3A4TDP1
SCHEMBL29763615 0.84 EPAS1 (0.52) EPAS1VEGFATSHRCYP3A4TDP1
SCHEMBL29222981 0.83 SIRT6 (0.42) EPAS1VEGFATSHRCYP3A4TDP1
SCHEMBL28400063 0.82 TDP1 (0.44) EPAS1VEGFATSHRCYP3A4TDP1
SCHEMBL28300776 0.81 EPAS1 (0.50) EPAS1VEGFATSHRCYP3A4TDP1
SCHEMBL29659699 0.79 TSHR (0.58) EPAS1VEGFATSHRCYP3A4TDP1
SCHEMBL2054426 0.79 TSHR (0.58) EPAS1VEGFATSHRCYP3A4TDP1
SCHEMBL11122753 0.79 ALDH1A1 (0.45) EPAS1TSHRCYP3A4TDP1ALDH1A1

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643496-B1 USE OF THIN FILMS OF MESOPOROUS SILICA AS SENSITIVE COMPONENTS IN GRAVIMETRIC SENSORS FOR DETERMINING THE CONCENTRATION OF NITRATE COMPOUNDS IN GASES COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-04-12 EP claimed
EP-2643496-A1 THIN FILMS OF MESOPOROUS SILICAS AS SENSITIVE MATERIALS IN GRAVIMETRIC SENSORS FOR DETECTING OR ASSAYING VAPOURS OF NITROGEN-CONTAINING COMPOUNDS Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2013-10-02 EP claimed
WO-2012069569-A1 THIN FILMS OF MESOPOROUS SILICAS AS SENSITIVE MATERIALS IN GRAVIMETRIC SENSORS FOR DETECTING OR ASSAYING VAPOURS OF NITROGEN-CONTAINING COMPOUNDS Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2012-05-31 WO claimed
US-8178354-B2 Chemical sensors comprising fluorescent conjugated polymers as sensitive materials, and their use in the detection or assaying of nitro compounds COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2012-05-15 US claimed
JP-4767249-B2 2011-09-07 JP claimed
US-7968343-B2 Chemical sensors comprising aniline polysiloxanes as sensitive materials and use thereof for detecting of assaying nitro compounds COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2011-06-28 US claimed
JP-4646076-B2 2011-03-09 JP claimed
US-7901948-B2 Using macrocycle compounds chosen from metalled and non-metalled, substituted and unsubstituted porphyrins, phthalocyanins, naphthalocyanins, sapphyrins, corroles, corrolazines and macrocyclic polyamines of the polyazamacrocycle or dioxopolyazamacrocycle type; civil security, explosives detection COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2011-03-08 US claimed
EP-1704408-B1 USE OF SILOXANE-BASED POLYMERS OR COMPOSITES IN CHEMICAL SENSORS FOR DETECTING NITRATE COMPOUNDS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-10-20 EP claimed
CN-1890559-B Use of siloxane-based polymers or composites in chemical sensors for detecting nitro compounds COMMISSARIAT ENERGIE ATOMIQUE 2010-09-01 CN claimed
CN-1890559-A Use of siloxane-based polymers or composites in chemical sensors for detecting nitro compounds COMMISSARIAT ENERGIE ATOMIQUE (FR) 2007-01-03 CN claimed
EP-1733210-A1 CHEMICAL SENSORS COMPRISING FLUORESCENT CONJUGATED POLYMERS AS SENSITIVE MATERIALS, AND THE USE THEREOF FOR THE DETECTION OR DOSAGE OF NITRATED COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-12-20 EP claimed
EP-1731548-A1 Use of fluorescent polysiloxanes in chemical sensors for detection or dosage of nitrated compounds COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-12-13 EP claimed
EP-1704408-A1 USE OF SILOXANE-BASED POLYMERS OR COMPOSITES IN CHEMICAL SENSORS FOR DETECTING NITRATE COMPOUNDS Commissariat A L'Energie Atomique (FR) 2006-09-27 EP claimed
WO-2006082343-A2 USE OF MOLECULAR CLIPS AS SENSITIVE MATERIALS IN CHEMICAL SENSORS FOR DETECTING OR ASSAYING ORGANIC COMPOUNDS IN VAPOUR STATE COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-08-10 WO claimed
EP-1676282-A2 USE OF CONDUCTIVE OR SEMI-CONDUCTIVE POLYMERS IN CHEMICAL SENSORS FOR DETECTING NITRO COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-07-05 EP claimed
WO-2006037921-A1 CHEMICAL SENSORS COMPRISING ANILINE POLYSILOXANES AS SENSITIVE MATERIALS AND USE THEREOF FOR DETECTING OF ASSAYING NITRO COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-04-13 WO claimed
WO-2005103653-A1 CHEMICAL SENSORS COMPRISING FLUORESCENT CONJUGATED POLYMERS AS SENSITIVE MATERIALS, AND THE USE THEREOF FOR THE DETECTION OR DOSAGE OF NITRATED COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-11-03 WO claimed
WO-2005057198-A1 USE OF SILOXANE-BASED POLYMERS OR COMPOSITES IN CHEMICAL SENSORS FOR DETECTING NITRATE COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-06-23 WO claimed
WO-2005041212-A2 USE OF CONDUCTIVE OR SEMI-CONDUCTIVE POLYMERS IN CHEMICAL SENSORS FOR DETECTING NITRO COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-05-06 WO claimed