SCHEMBL8604336

SCHEMBL8604336

COC(=O)NOS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
F2 P00734 3/20 0.54
PRSS1 P07477 3/20 0.54
PRSS2 P07478 3/20 0.54
PRSS3 P35030 3/20 0.54
ALDH1A1 P00352 3/20 0.51
HSP90AA1 P07900 1/20 0.51
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
CA12 O43570 5/20 0.49
CA9 Q16790 5/20 0.49
CA14 Q9ULX7 5/20 0.49
CA3 P07451 3/20 0.49
CA4 P22748 3/20 0.49
CA6 P23280 3/20 0.49
CA5A P35218 3/20 0.49
CA7 P43166 3/20 0.49
CA13 Q8N1Q1 3/20 0.49
CA5B Q9Y2D0 3/20 0.49
MMP1 P03956 1/20 0.49

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
SCHEMBL875776 0.87 HPGD (0.46) POLBF2PRSS1PRSS2PRSS3
SCHEMBL31504508 0.87 ALOX5 (0.51) POLBF2PRSS1PRSS2PRSS3
SCHEMBL4291415 0.85 CA2 (0.50) POLBF2PRSS1PRSS2PRSS3
SCHEMBL9815588 0.79 CA2 (0.59) POLBF2PRSS1PRSS2PRSS3
SCHEMBL468315 0.77 CA1 (0.55) POLBF2PRSS1PRSS2PRSS3
SCHEMBL11853542 0.76 CA1 (0.55) POLBF2PRSS1PRSS2PRSS3
SCHEMBL6311444 0.75 ALDH1A1 (0.55) POLBF2PRSS1PRSS2PRSS3
SCHEMBL22038769 0.75 POLB (0.59) POLBF2PRSS1PRSS2PRSS3
SCHEMBL1242007 0.74 ALDH1A1 (0.48) POLBF2PRSS1PRSS2PRSS3
SCHEMBL10615659 0.74 POLB (0.51) POLBF2PRSS1PRSS2PRSS3

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
US-5777137-A Pancratistatins and processes for their production UNIVERSITY OF FLORIDA (US) 1998-07-07 US disclosed
WO-1997016453-A2 PANCRATISTATINS AND PROCESSES FOR THEIR PRODUCTION UNIVERSITY OF FLORIDA (US) 1997-05-09 WO disclosed