SCHEMBL7865332

SCHEMBL7865332

C=Cc1ccc(OC(F)(F)C(F)(F)S(N)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
STS P08842 1/20 0.36
CA2 P00918 6/20 0.36
CA9 Q16790 6/20 0.36
CA1 P00915 5/20 0.36
CA12 O43570 3/20 0.36
PTGES2 Q9H7Z7 1/20 0.34
KIF11 P52732 2/20 0.33
CA7 P43166 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
HDAC1 Q13547 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
SCHEMBL677360 0.85 TDP1 (0.44) TDP1ALDH1A1CA2CA9CA1
SCHEMBL7865327 0.84 TDP1 (0.43) TDP1ALDH1A1CA2CA9CA1
Lithium Ion SCHEMBL6850337 0.84 TDP1 (0.40) TDP1ALDH1A1CA2CA9CA1
SCHEMBL7865330 0.82 TDP1 (0.37) TDP1ALDH1A1STSCA2CA9
SCHEMBL14397681 0.81 TDP1 (0.34) TDP1ALDH1A1CA2CA9CA1
SCHEMBL7039707 0.80 PTPN1 (0.40) TDP1ALDH1A1CA2CA9CA1
SCHEMBL17409277 0.80 STS (0.40) TDP1ALDH1A1STSCA2CA9
SCHEMBL6850429 0.79 PTPN1 (0.39) TDP1ALDH1A1CA2CA9CA1
SCHEMBL8108082 0.78 ALDH1A1 (0.46) TDP1ALDH1A1PIM1PIM2CHRNB2
SCHEMBL14355068 0.77 TDP1 (0.31) TDP1KIF11

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-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