SCHEMBL2303841

SCHEMBL2303841

CN(C)c1ccccc1N(N=O)N=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
TSHR P16473 3/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
HTR6 P50406 2/20 0.39
LMNA P02545 2/20 0.39
NSD2 O96028 1/20 0.39
EGFR P00533 1/20 0.39
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ALOX15 P16050 2/20 0.36

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
SCHEMBL65263 0.79 MAPT (0.55) ALDH1A1MAPTGAATSHRTP53
SCHEMBL7721860 0.76 TSHR (0.41) ALDH1A1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL4146720 0.72 ALDH1A1 (0.48) ALDH1A1MAPTGAATSHRTP53
SCHEMBL30882155 0.71 MAPT (0.45) ALDH1A1MAPTGAATSHRTP53
SCHEMBL150284 0.71 MAPT (0.45) ALDH1A1MAPTGAATSHRTP53
SCHEMBL5880644 0.71 CYP3A4 (0.41) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL6236326 0.71 ALDH1A1 (0.48) ALDH1A1MAPTGAATSHRTP53
SCHEMBL18157895 0.71 MAPT (0.48) ALDH1A1MAPTGAATSHRTP53
Hydrochloric Acid SCHEMBL9404129 0.70 MAPT (0.43) ALDH1A1MAPTGAATSHRTP53
Hydrochloric Acid SCHEMBL10435549 0.68 MAPT (0.42) ALDH1A1MAPTGAATSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899451-B1 METHODS AND COMPOSITIONS FOR REGULATING BIOFILM DEVELOPMENT NEWSOUTH INNOVATIONS PTY LTD (AU) 2016-10-12 EP disclosed
EP-2351828-A1 Methods and compositions for regulating biofilm development Environmental Biotechnology CRC Pty Limited (AU) 2011-08-03 EP disclosed