SCHEMBL6056044

SCHEMBL6056044

O=[N+]([O-])c1ccc(SCCCCCCO)c2nonc12.O=[N+]([O-])c1ccc(SCCCCO)c2nonc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 19/20 1.00
GSTM2 P28161 18/20 1.00

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
SCHEMBL761344 1.00 GSTP1 (1.00) GSTP1GSTM2
SCHEMBL6049336 0.99 GSTP1 (1.00) GSTP1GSTM2
SCHEMBL300204 0.89 GSTP1 (0.82) GSTP1GSTM2
SCHEMBL27142039 0.86 GSTP1 (0.77) GSTP1GSTM2
SCHEMBL6049348 0.84 GSTP1 (0.74) GSTP1GSTM2
SCHEMBL3502370 0.81 GSTP1 (0.74) GSTP1GSTM2
SCHEMBL6056085 0.80 GSTP1 (0.64) GSTP1GSTM2
SCHEMBL13906505 0.80 GSTP1 (0.76) GSTP1GSTM2
SCHEMBL13997681 0.77 GSTP1 (0.66) GSTP1GSTM2
SCHEMBL18878890 0.76 GSTP1 (0.77) GSTP1GSTM2

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-1615638-A1 USE OF 7-NITRO-2,1,3 BENZOXADIAZOLE DERIVATIVES FOR ANTICANCER THERAPY Università degli Studi di Roma " Tor Vergata" (IT) 2006-01-18 EP disclosed
WO-2004093874-A1 USE OF 7-NITRO-2,1,3 BENZOXADIAZOLE DERIVATIVES FOR ANTICANCER THERAPY UNIVERSITA' DEGLI STUDI DI ROMA 'TOR VERGATA' (IT) 2004-11-04 WO disclosed