SCHEMBL9014346

SCHEMBL9014346

C=CCc1[c]ccc(S(=O)(=O)F)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
CA12 O43570 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
SCHEMBL8415124 0.77 XDH (0.31)
SCHEMBL21045005 0.72 GABRA1 (0.39) MEN1KMT2A
SCHEMBL2161704 0.71 XDH (0.44) POLBMEN1TSHRHTTKMT2A
SCHEMBL9545554 0.69 CHRNB2 (0.31) KMT2A
SCHEMBL8415107 0.69 XDH (0.31)
SCHEMBL3263937 0.69 TP53 (0.32) TSHR
SCHEMBL9808624 0.69 PTGDR (0.34) POLB
SCHEMBL5670666 0.69 XDH (0.38) POLBMEN1KMT2A
SCHEMBL11130511 0.67
SCHEMBL4521999 0.67 TDP1 (0.39) POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745153-A1 DISAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-12-04 EP disclosed
WO-1995022649-A1 DISAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-08-24 WO disclosed