SCHEMBL6909696

SCHEMBL6909696

CC(O)c1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORD Q00796 3/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
MMP14 P50281 2/20 0.33
BLM P54132 2/20 0.33
CASP6 P55212 2/20 0.33
UGT2B7 P16662 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6365200 0.76 NPC1 (0.35) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL6676223 0.73 CRHBP (0.40) CRHBPCRHR2KEAP1NFE2L2TDP1
SCHEMBL5457433 0.73 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2MAPT
SCHEMBL6676368 0.70 CRHBP (0.49) CRHBPCRHR2KEAP1NFE2L2TDP1
SCHEMBL6676030 0.70 PDE5A (0.41) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL5066814 0.69 TDP1 (0.38) CRHBPCRHR2KEAP1NFE2L2TDP1
SCHEMBL29864580 0.69 TDP1 (0.38) CRHBPCRHR2KEAP1NFE2L2TDP1
SCHEMBL30361763 0.69 PDPK1 (0.42) CRHBPCRHR2KEAP1NFE2L2TDP1
SCHEMBL1651160 0.69 PDPK1 (0.42) CRHBPCRHR2KEAP1NFE2L2TDP1
SCHEMBL6673705 0.69 CRHBP (0.34) CRHBPCRHR2KEAP1NFE2L2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972517-B1 Use of 1,2,4-benzotriazine oxides for the preparation of a medicament for the treatment of tumors UNIV LELAND STANFORD JUNIOR (US) 2004-07-07 EP disclosed
US-6277835-B1 ADMINISTERING SYNERGISTIC DOSAGE OF A 1,2,4-BENZOTRIAZINE OXIDE COMPOUND CYTOLYTIC AGENT EFFECTIVE AGAINST HYPOXIC TUMOR CELLS AND AN ANTITUMOR AGENT EFFECTIVE AGAINST OXYGENATED TUMOR CELLS THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY 2001-08-21 US disclosed
US-6121263-A Method of tumor treatment THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-09-19 US disclosed
EP-0649658-B1 Use of 1,2,4-benzotriazine oxides for the manufacture of a medicament for the treatment of tumors UNIV LELAND STANFORD JUNIOR (US) 2000-06-14 EP disclosed
EP-0972517-A2 Use of 1,2,4-benzotriazine oxides for the preparation of a medicament for the treatment of tumours THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-01-19 EP disclosed
US-5670502-A Method of tumor treatment THE BOARD OF TRUSTEES OF LELAND STANFORD JR. UNIV. (US) 1997-09-23 US disclosed
US-5484612-A Method of treating a mammal having a solid tumor susceptible to treatment with cisplatin THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1996-01-16 US disclosed
EP-0649658-A1 Method of tumor treatment THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1995-04-26 EP disclosed