SCHEMBL8622005

SCHEMBL8622005

O=C(OS(=O)(=O)O)N(O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.46
RIPK1 Q13546 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CA2 P00918 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD11B1 P28845 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL2198859 0.77 ALOX5 (0.50) ALOX5RIPK1PTGS1PTGS2CA2
SCHEMBL8618020 0.77 ALOX5 (0.50) ALOX5RIPK1PTGS1PTGS2MEN1
SCHEMBL19832018 0.75 ALOX5 (0.54) ALOX5RIPK1PTGS1PTGS2KMT2A
SCHEMBL3279004 0.75 ALOX5 (0.60) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL11042276 0.74 ALDH1A1 (0.62) ALOX5RIPK1PTGS1PTGS2MEN1
SCHEMBL6624013 0.72 RIPK1 (0.57) ALOX5RIPK1PTGS1PTGS2MEN1
SCHEMBL11127626 0.71 ALOX5 (0.56) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL10413398 0.71 ALDH1A1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4959369 0.70 CYP3A4 (0.49) ALOX5RIPK1PTGS1PTGS2ALDH1A1
SCHEMBL23805084 0.70 ALOX5 (0.55) ALOX5RIPK1PTGS1PTGS2NPC1

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
WO-1998053893-A1 EXTRACTION AGENTS AND METHOD FOR USE THEREOF HAMPSHIRE CHEMICAL AB (SE) 1998-12-03 WO claimed
US-5571378-A REMOVING TRANSITION METALS FROM KRAFT PULP HAMPSHIRE CHEMICAL LTD. (GB) 1996-11-05 US claimed
US-5571378-A REMOVING TRANSITION METALS FROM KRAFT PULP HAMPSHIRE CHEMICAL LTD. (GB) 1996-11-05 US disclosed