SCHEMBL3422154

SCHEMBL3422154

[CH2]CN(C(F)(F)F)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.48
RORC P51449 6/20 0.42
NR1H3 Q13133 5/20 0.42
NR1H2 P55055 5/20 0.42
NR1I2 O75469 8/20 0.41
RORA P35398 3/20 0.40
RORB Q92753 3/20 0.40
NR1H4 Q96RI1 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RXRA P19793 1/20 0.39
SREBF1 P36956 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
NR1I3 Q14994 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL2512045 0.74 APOBEC3G (0.58) APOBEC3GRORCNR1H3NR1H2NR1I2
SCHEMBL9657376 0.74 APOBEC3G (0.52) APOBEC3GTDP1ALDH1A1HSD11B1
SCHEMBL10689063 0.72 TBXA2R (0.48) APOBEC3GNR1H3NR1H2NR1I2TDP1
SCHEMBL27794695 0.71 APOBEC3G (0.54) APOBEC3GRORCNR1H3NR1H2NR1I2
SCHEMBL1868116 0.71 APOBEC3G (0.54) APOBEC3GRORCNR1H3NR1H2NR1I2
SCHEMBL1768495 0.71 APOBEC3G (0.54) APOBEC3GRORCNR1H3NR1H2NR1I2
SCHEMBL3483110 0.71 CCR5 (0.53) APOBEC3GNR1H3TDP1ALDH1A1MAPT
SCHEMBL6917666 0.69 NR1H3 (0.69) APOBEC3GRORCNR1H3NR1H2NR1I2
SCHEMBL3482968 0.69 LMNA (0.60) APOBEC3GRORCNR1I2MAPT
SCHEMBL11220474 0.69 APOBEC3G (0.52) APOBEC3GRORCNR1H3NR1H2NR1I2

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-2148881-A1 FLUORINATED LANTHANIDE PROBES FOR 19F MAGNETIC RESONANCE APPLICATIONS UNIVERSITY OF DURHAM (GB) 2010-02-03 EP disclosed
WO-2008132433-A1 FLUORINATED LANTHANIDE PROBES FOR 19F MAGNETIC RESONANCE APPLICATIONS UNIVERSITY OF DURHAM (GB) 2008-11-06 WO disclosed