SCHEMBL2213474

SCHEMBL2213474

N#[N+]CC(=O)Nc1ccc(N)c(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.46
ENPP2 Q13822 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GSTO1 P78417 7/20 0.36
TERT O14746 3/20 0.36
CASR P41180 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL8912707 0.81 CTDSP1 (0.56) CTDSP1NPC1RAB9ACA12CA1
SCHEMBL11124144 0.81 GSTO1 (0.55) CTDSP1NPC1RAB9AGSTO1
SCHEMBL7646766 0.80 CA1 (0.54) CTDSP1ENPP2NPC1RAB9AGSTO1
SCHEMBL10487505 0.79 ENPP2 (0.55) CTDSP1ENPP2RAB9ACASRRAPGEF4
SCHEMBL11911305 0.77 NT5E (0.52) CTDSP1ENPP2NPC1RAPGEF4CA1
SCHEMBL66550 0.76 ENPP2 (0.60) CTDSP1ENPP2NPC1RAB9ACA12
SCHEMBL8491542 0.75 GPR35 (0.49) CTDSP1ENPP2CASRRAPGEF4
SCHEMBL6249277 0.74 CA1 (0.51) CASRCA12CA1CA2CA9
SCHEMBL28890270 0.74 MAPT (0.53) NPC1RAB9ACA12CA1CA2
SCHEMBL14668936 0.74 L3MBTL1 (0.55) CTDSP1ENPP2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1563012-B1 TRISAZO DYES FOR INKS FOR INK JET PRINTING FUJIFILM IMAGING COLORANTS LTD (GB) 2011-07-27 EP disclosed
US-7530685-B2 Trisazo dyes for inks for ink jet printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-05-12 US disclosed
US-20060054054-A1 Trisazo dyes for inks for ink jet printing AVECIA INKJET LIMITED (GB) 2006-03-16 US disclosed
EP-1563012-A1 TRISAZO DYES FOR INKS FOR INK JET PRINTING Avecia Inkjet Limited (GB) 2005-08-17 EP disclosed
WO-2004046252-A1 TRISAZO DYES FOR INKS FOR INK JET PRINTING AVECIA INKJET LIMITED (GB) 2004-06-03 WO disclosed