SCHEMBL8727671

SCHEMBL8727671

O=[N+]([O-])c1cc[c]c(S(=O)(=O)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
PTPRC P08575 1/20 0.39
S100A4 P26447 1/20 0.39
CA2 P00918 3/20 0.39
CA5A P35218 2/20 0.39
ALDH1A1 P00352 5/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
CA1 P00915 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36

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
SCHEMBL2152622 0.82 TSHR (0.41) TSHRLMNAKMT2AGAAHTT
SCHEMBL5868210 0.82 PTGS2 (0.41) TSHRLMNAKMT2AGAAHTT
SCHEMBL11413990 0.82 CA2 (0.50) TSHRLMNAKMT2AGAAHTT
SCHEMBL8892649 0.79 HTT (0.40) TSHRLMNAKMT2AGAAHTT
SCHEMBL8742964 0.78 HTT (0.39) TSHRLMNAKMT2AGAAHTT
SCHEMBL9320332 0.78 CA1 (0.53) TSHRLMNAKMT2AGAAHTT
SCHEMBL6152627 0.78 ALDH1A1 (0.53) TSHRLMNAKMT2AGAAHTT
SCHEMBL9320484 0.78 KMT2A (0.35) TSHRLMNAKMT2AGAAHTT
SCHEMBL9320358 0.76 VCAM1 (0.47) LMNAKMT2AGAAHTTALDH1A1
SCHEMBL9320217 0.74 CYP1A2 (0.40) LMNAKMT2AHTTALDH1A1HIF1A

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

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