SCHEMBL3728604

SCHEMBL3728604

Cc1c(N=Nc2ccc(N(C)C)c3ccccc23)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KMT2A Q03164 6/20 0.46
TDP1 Q9NUW8 5/20 0.46
MEN1 O00255 4/20 0.46
MAPK1 P28482 3/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.42
ALDH1A1 P00352 6/20 0.39
HTT P42858 5/20 0.39
KDM4E B2RXH2 4/20 0.39
INSR P06213 1/20 0.38
CHEK1 O14757 1/20 0.36
NEK2 P51955 1/20 0.36
LIMK1 P53667 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
HCAR3 P49019 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 3/20 0.35
RAB9A P51151 3/20 0.35

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
SCHEMBL3728602 1.00 MAPT (0.46) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL14087032 0.87 MEN1 (0.46) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL13330237 0.81 TDP1 (0.53) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL5044866 0.79 MEN1 (0.64) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL5044863 0.79 MEN1 (0.64) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL3727823 0.73 MAPT (0.55) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL3727822 0.73 MAPT (0.55) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL14680511 0.72 ALDH1A1 (0.46) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL9452106 0.71 TDP1 (0.55) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL11696969 0.71 MAPT (0.40) MAPTKMT2ATDP1MEN1MAPK1

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 4 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
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