SCHEMBL11220474

SCHEMBL11220474

O=NN(C(F)(F)F)S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.52
NR1H3 Q13133 5/20 0.44
NR1H2 P55055 4/20 0.44
RORC P51449 2/20 0.41
NR1I2 O75469 4/20 0.40
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RORA P35398 1/20 0.39
RORB Q92753 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.38

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 0.77 APOBEC3G (0.58) APOBEC3GNR1H3NR1H2RORCNR1I2
SCHEMBL27794695 0.73 APOBEC3G (0.54) APOBEC3GNR1H3NR1H2RORCNR1I2
SCHEMBL1768495 0.73 APOBEC3G (0.54) APOBEC3GNR1H3NR1H2RORCNR1I2
SCHEMBL1868116 0.73 APOBEC3G (0.54) APOBEC3GNR1H3NR1H2RORCNR1I2
SCHEMBL6917666 0.72 NR1H3 (0.69) APOBEC3GNR1H3NR1H2RORCNR1I2
SCHEMBL28340190 0.72 APOBEC3G (0.56) APOBEC3GHTR6ALDH1A1KMT2AMEN1
SCHEMBL3422154 0.69 APOBEC3G (0.48) APOBEC3GNR1H3NR1H2RORCNR1I2
SCHEMBL5533428 0.69 APOBEC3G (0.73) APOBEC3GHTR6ALDH1A1KMT2AMEN1
SCHEMBL121410 0.69 APOBEC3G (1.00) APOBEC3GHTR6ALDH1A1KMT2AMEN1
SCHEMBL10954851 0.68 APOBEC3G (0.52) APOBEC3GNR1I2HTR6ALDH1A1KMT2A

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
JP-57140755-A None JP disclosed
JP-S57140755-A N-PERFLUOROALKYL-N-NITROSOAMINE DERIVATIVE AND ITS PREPARATION SAGAMI CHEM RES CENTER 1982-08-31 JP disclosed