SCHEMBL3761809

SCHEMBL3761809

NS(=O)(=O)c1ccc(SCCO)c2nonc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 10/20 0.46
GSTM2 P28161 9/20 0.46
CA2 P00918 10/20 0.46
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA7 P43166 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 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
SCHEMBL300204 0.71 GSTP1 (0.82) GSTP1GSTM2
SCHEMBL2728455 0.70 MEN1 (0.41) CA2CA12CA1CA7CA3
SCHEMBL571688 0.68 TET2 (0.46) CA2CA12CA1CA9
SCHEMBL7752552 0.68 RORA (0.46) CA2CA12CA1CA7CA13
SCHEMBL20441085 0.64 CA2 (0.46) CA2CA12CA1CA7CA4
SCHEMBL6049336 0.63 GSTP1 (1.00) GSTP1GSTM2
SCHEMBL10528817 0.63 CA2 (1.00) CA2CA12CA1CA7CA13
SCHEMBL6056044 0.62 GSTP1 (1.00) GSTP1GSTM2
SCHEMBL761344 0.62 GSTP1 (1.00) GSTP1GSTM2
SCHEMBL2465209 0.62 HTT (0.58) CA2CA1CA9

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-7842491-B2 Determination of metal ions in solution by photoluminescence anisotropy Thompson, Richard B. (US) 2010-11-30 US claimed
US-20050250170-A1 Determination of metal ions in solution by photoluminescence anisotropy THOMPSON, RICHARD B. 2005-11-10 US claimed
WO-2015104433-A1 BENZO[C][1,2,5]OXADIAZOLE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER UNIVERSIDAD DE ZARAGOZA (ES) 2015-07-16 WO disclosed