SCHEMBL27629522

SCHEMBL27629522

NS(=O)(=O)c1c([N+](=O)[O-])csc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.45
CA1 P00915 7/20 0.40
CA2 P00918 7/20 0.40
CA12 O43570 6/20 0.40
CA9 Q16790 6/20 0.40
CA14 Q9ULX7 2/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL9063331 0.72 CA1 (0.35) CA1CA2CA12CA9CA14
SCHEMBL28300983 0.69 CA9 (0.53) VCAM1CA1CA2CA12CA9
SCHEMBL4603369 0.68 TDP1 (0.58) VCAM1CA1CA2CA12CA9
SCHEMBL1130962 0.68 VCAM1 (0.53) VCAM1CA1CA2CA12CA9
SCHEMBL1185703 0.68 VCAM1 (0.49) VCAM1CA1CA2CA12CA9
SCHEMBL6812640 0.67 TDP1 (0.52) VCAM1CA1CA2CA12CA9
SCHEMBL3868816 0.67 ALDH1A1 (0.37) VCAM1CA1CA2CA12CA9
SCHEMBL19071926 0.66 ALDH1A1 (0.55) VCAM1CA1CA2CA12CA9
SCHEMBL19071931 0.66 L3MBTL1 (0.50) VCAM1CA1CA2CA12CA9
SCHEMBL4607518 0.66 VCAM1 (0.54) VCAM1CA1CA2CA12CA9

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
CN-100363368-C thiadiazine derivatives and their use as positive AMPA receptor modulators SERVIER LAB (FR) 2008-01-23 CN disclosed
CN-1798750-A Thiadiazine derivatives and use thereof as positive ampa receptor modulators SERVIER LAB (FR) 2006-07-05 CN disclosed