SCHEMBL7769137

SCHEMBL7769137

O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 1/20 0.58
ALOX5 P09917 1/20 0.52
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
VCAM1 P19320 1/20 0.49
FSCN1 Q16658 1/20 0.48
NHERF1 O14745 1/20 0.48
MCL1 Q07820 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
HSD11B1 P28845 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
PDE2A O00408 1/20 0.45
PDE5A O76074 1/20 0.45

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
SCHEMBL10453008 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL10453009 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL29403247 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL452351 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL2483870 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL5075923 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL9838827 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6110373 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL390493 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL390643 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10

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