SCHEMBL3733548

SCHEMBL3733548

NN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])n1nnc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
HTT P42858 2/20 0.46
GAA P10253 4/20 0.44
MGAM O43451 3/20 0.44
AMY1A P0DUB6 3/20 0.44
SI P14410 3/20 0.44
MGAM2 Q2M2H8 3/20 0.44
TGM2 P21980 1/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.42
FAAH O00519 2/20 0.41
MGLL Q99685 2/20 0.41
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6298273 0.74 ALDH1A1 (0.71) KMT2AALDH1A1MEN1HTTGAA
SCHEMBL7746341 0.72 ALDH1A1 (0.55) KMT2AALDH1A1MEN1HTTGAA
SCHEMBL3868313 0.71 ALDH1A1 (0.56) KMT2AALDH1A1MEN1HTTGAA
SCHEMBL15555682 0.70 ALDH1A1 (0.52) KMT2AALDH1A1MEN1HTTGAA
SCHEMBL29475408 0.70 ALDH1A1 (0.52) KMT2AALDH1A1MEN1HTTGAA
SCHEMBL9722405 0.70 TDP1 (0.60) KMT2AALDH1A1MEN1HTTGAA
SCHEMBL28228067 0.68 TDP1 (0.50) KMT2AALDH1A1MEN1MAPTHPGD
Hydrochloric Acid SCHEMBL28047120 0.67 TDP1 (0.49) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL29014002 0.67 TDP1 (0.56) KMT2AALDH1A1MEN1HTTGAA
SCHEMBL29702809 0.67 TDP1 (0.56) KMT2AALDH1A1MEN1HTTMAPT

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 5 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
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