SCHEMBL7768401

SCHEMBL7768401

CCN(CCOc1ccc(S(=O)(=O)F)cc1)c1ccc(N=Nc2sc([N+](=O)[O-])cc2C(C)=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.33
PPARA Q07869 1/20 0.32
PPARD Q03181 2/20 0.32
TDP1 Q9NUW8 4/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 2/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30

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
SCHEMBL8725193 0.80 LMNA (0.38) MAOBTDP1MAPTMAPK1L3MBTL1
SCHEMBL8724005 0.79 LMNA (0.39) MAOBTDP1MAPTMAPK1L3MBTL1
SCHEMBL8724009 0.79 LMNA (0.39) MAOBTDP1MAPTMAPK1L3MBTL1
SCHEMBL7769786 0.76 MAPT (0.40) PPARAPPARDTDP1MAPTMAPK1
SCHEMBL10119041 0.76 MMP14 (0.33)
SCHEMBL9176325 0.75 HTT (0.34) TDP1MAPTMAPK1L3MBTL1NPC1
SCHEMBL18211000 0.73 MMP14 (0.31)
SCHEMBL7769770 0.73 KCNH2 (0.36) PPARAPPARDTDP1MAPTMAPK1
SCHEMBL7768272 0.72 MAPT (0.37) TDP1MAPTMAPK1L3MBTL1NPC1
SCHEMBL7764296 0.72 ALDH1A1 (0.39) MAPTL3MBTL1RAB9ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 EP disclosed
US-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 US disclosed
EP-0740690-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-06 EP disclosed
WO-1995020014-A1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-07-27 WO disclosed