SCHEMBL8725829

SCHEMBL8725829

O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1S2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 8/20 0.65
NOX1 Q9Y5S8 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 2/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAOA P21397 1/20 0.44
CNR1 P21554 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 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
SCHEMBL20398346 0.87 SNCA (0.62) SNCANOX1MEN1KMT2AMAPT
SCHEMBL20398347 0.85 SNCA (0.45) SNCAMEN1KMT2AMAPTTDP1
SCHEMBL23936914 0.84 SNCA (0.52) SNCANOX1MEN1KMT2AMAPT
Trinitrophenol SCHEMBL8039679 0.83 SNCA (0.65) SNCANOX1MEN1KMT2AMAPT
SCHEMBL19744455 0.82 NOX1 (0.52) SNCANOX1MEN1KMT2AMAPT
SCHEMBL32057233 0.82 SNCA (0.55) SNCANOX1MEN1KMT2AMAPT
SCHEMBL3953679 0.82 SNCA (0.55) SNCANOX1MEN1KMT2AMAPT
SCHEMBL34467183 0.81 SNCA (0.49) SNCANOX1MEN1KMT2AMAPT
SCHEMBL8039683 0.80 SNCA (0.51) SNCANOX1MEN1KMT2AMAPT
SCHEMBL30769632 0.79 SNCA (1.00) SNCANOX1MEN1KMT2AMAPT

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
US-5756356-A COLORIMETRIC TOYO INK MANUFACTURING CO., LTD. (JP) 1998-05-26 US disclosed
EP-0735368-A1 Method of indicating time or temperature-time accumulated value as color change, and materials therefor TOYO INK MANUFACTURING CO., LTD. (JP) 1996-10-02 EP disclosed