SCHEMBL1479253

SCHEMBL1479253

N=C=O.[N-]=[N+]=NS(=O)(=O)c1ccc(N=C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
BCL2L1 Q07817 1/20 0.33
BAK1 Q16611 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX2 P34913 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL10936908 0.95 CYP3A4 (0.41) CYP3A4TSHRCA1CA2CA5A
SCHEMBL1479252 0.85 CYP3A4 (0.39) CYP3A4TSHRCA1CA2MAPK1
SCHEMBL10823807 0.78 CA1 (0.43) CA1CA2CA5ACA9CA5B
SCHEMBL182964 0.77 CYP3A4 (0.47) CYP3A4TSHRCA1CA2CA9
SCHEMBL11397977 0.76 CA2 (0.36) CYP3A4CA1CA2CA5ACA9
SCHEMBL28301007 0.74 CYP3A4 (0.61) CYP3A4TSHRCA1CA2MAPK1
SCHEMBL5676376 0.73 CA2 (0.41) CA1CA2CA5ACA9CA5B
SCHEMBL5656809 0.73 CYP3A4 (0.42) CYP3A4TSHRCA1CA2CA9
SCHEMBL11701386 0.71 CYP3A4 (0.37) CYP3A4TSHRCA1CA2CA5A
SCHEMBL278353 0.70 CYP3A4 (0.52) CYP3A4TSHRCA1CA2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7914844-B2 Stable dispersions of polymer-coated graphitic nanoplatelets NORTHWESTERN UNIVERSITY (US) 2011-03-29 US disclosed
WO-2008048295-A2 STABLE DISPERSIONS OF POLYMER-COATED GRAPHITIC NANOPLATELETS NORTHWESTERN UNIVERSITY (US) 2008-04-24 WO disclosed
US-20070131915-A1 Stable dispersions of polymer-coated graphitic nanoplatelets NORTHWESTERN UNIVERSITY 2007-06-14 US disclosed