SCHEMBL6854191

SCHEMBL6854191

O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)Oc1ccc(Br)cc1)C(F)(F)F.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.44
PTGS2 P35354 4/20 0.44
PTPN1 P18031 1/20 0.41
SLC22A12 Q96S37 1/20 0.35
WDR5 P61964 1/20 0.35
CA2 P00918 6/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 3/20 0.35
KIF11 P52732 1/20 0.34
CA5A P35218 1/20 0.33
CCR9 P51686 1/20 0.32
AR P10275 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
PTPN11 Q06124 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
ADAM17 P78536 1/20 0.31

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
SCHEMBL6850429 0.81 PTPN1 (0.39) PTPN1CA2CA1CA9KIF11
SCHEMBL7039707 0.79 PTPN1 (0.40) PTPN1CA2CA1CA9KIF11
SCHEMBL4584804 0.77 CA2 (0.41) PTGS1PTGS2WDR5CA2CA1
SCHEMBL6850641 0.76 CA2 (0.40) PTGS1PTGS2WDR5CA2CA1
SCHEMBL6129791 0.76 CA2 (0.40) PTGS1PTGS2WDR5CA2CA1
Lithium Ion SCHEMBL6856332 0.74 CA2 (0.39) PTGS1PTGS2WDR5CA2CA1
SCHEMBL14184917 0.70 CA1 (0.42) PTGS1PTGS2CA2CA1CA9
SCHEMBL7871262 0.70 ALOX15 (0.39) PTGS1PTGS2WDR5CA2CA1
SCHEMBL4323037 0.68 CYP2A6 (0.38) CA2CA1CA9KIF11CA5A
SCHEMBL1230294 0.68 CYP2A6 (0.38) CA2CA1CA9KIF11CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095071-B1 AROMATIC POLYMERS WITH PENDANT FLUORINATED IONIC GROUPS DU PONT (US) 2004-06-16 EP disclosed
EP-1095071-A1 AROMATIC POLYMERS WITH PENDANT FLUORINATED IONIC GROUPS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-05-02 EP disclosed
WO-1999067304-A1 AROMATIC POLYMERS WITH PENDANT FLUORINATED IONIC GROUPS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-12-29 WO disclosed