SCHEMBL3735113

SCHEMBL3735113

O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]nnc2c1

nearest known ligand 0.48

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
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
GPR35 Q9HC97 5/20 0.44
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TTR P02766 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 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
SCHEMBL27627318 0.81 ALDH1A1 (0.48) TXNRD1TXNRD3TXNRD2ALDH1A1MEN1
SCHEMBL27627269 0.81 AKR1B1 (0.42) ALDH1A1MEN1KMT2AGPR35MAPT
SCHEMBL27627275 0.81 NQO2 (0.45) TXNRD1TXNRD3TXNRD2ALDH1A1MEN1
SCHEMBL27647532 0.81 GRIN2D (0.47) ALDH1A1MEN1KMT2AGPR35MAPT
SCHEMBL13318837 0.81 TDP1 (0.41) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL13318838 0.81 GPR35 (0.45) TXNRD1TXNRD3TXNRD2ALDH1A1MEN1
SCHEMBL13318833 0.80 XDH (0.46) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL3727198 0.79 CASP6 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL13318834 0.79 ERN1 (0.45) TXNRD1TXNRD3TXNRD2ALDH1A1MEN1
SCHEMBL3277218 0.78 MAPK1 (0.43) ALDH1A1MEN1KMT2AMAPTMAPK1

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