SCHEMBL3733557

SCHEMBL3733557

O=[N+]([O-])c1cc([N+](=O)[O-])c2nn[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
TDP1 Q9NUW8 4/20 0.44
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
GPR35 Q9HC97 5/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL18152847 0.81 GPR35 (0.40) TDP1ALDH1A1MAPTGPR35KMT2A
SCHEMBL1022548 0.81 GRIN2D (0.47) TDP1ALDH1A1MAPTGPR35KMT2A
SCHEMBL3216440 0.81 CHUK (0.40) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL5702820 0.81 MAPT (0.45) TXNRD1TXNRD3TXNRD2TDP1ALDH1A1
SCHEMBL2832060 0.81 TDP1 (0.39) TXNRD1TXNRD3TXNRD2TDP1ALDH1A1
SCHEMBL17348518 0.79 XDH (0.45) TDP1ALDH1A1MAPTKMT2AALOX15
SCHEMBL10627235 0.78 MAPT (0.52) TDP1ALDH1A1MAPTKMT2AALOX15
SCHEMBL29893733 0.78 MAPT (0.52) TDP1ALDH1A1MAPTKMT2AALOX15
SCHEMBL10622774 0.76 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL10627269 0.76 CA2 (0.38) TDP1ALDH1A1MAPTALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741102-B2 Analyte detection and apparatus therefor UNIVERSITY OF STRATHCLYDE (GB) 2010-06-22 US disclosed
US-7741102-B2 Analyte detection and apparatus therefor UNIVERSITY OF STRATHCLYDE (GB) 2010-06-22 US disclosed
US-7741102-B2 Analyte detection and apparatus therefor UNIVERSITY OF STRATHCLYDE (GB) 2010-06-22 US disclosed
EP-1272827-B1 ANALYTE DETECTION UNIV STRATHCLYDE (GB) 2008-09-17 EP disclosed
EP-1272827-B1 ANALYTE DETECTION UNIV STRATHCLYDE (GB) 2008-09-17 EP disclosed
US-20040234958-A1 Analyte detection and apparatus therefor RENISHAW DIAGNOSTICS LIMITED (GB) 2004-11-25 US disclosed
EP-1272827-A1 ANALYTE DETECTION & APPARATUS THEREFOR UNIVERSITY OF STRATHCLYDE (GB) 2003-01-08 EP disclosed
WO-2001077650-A1 ANALYTE DETECTION & APPARATUS THEREFOR UNIVERSITY OF STRATHCLYDE (GB) 2001-10-18 WO disclosed