SCHEMBL8026293

SCHEMBL8026293

O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.71
GAA P10253 3/20 0.62
GFER P55789 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
ALDH1A1 P00352 6/20 0.57
HPGD P15428 1/20 0.57
PKM P14618 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CA12 O43570 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
MAPT P10636 1/20 0.53
CA1 P00915 2/20 0.53
DNMT1 P26358 1/20 0.52
DNMT3A Q9Y6K1 1/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSP90AA1 P07900 1/20 0.51

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
SCHEMBL16187972 0.87 KMT2A (0.64) FFAR4GAAALDH1A1HPGDPKM
SCHEMBL4968417 0.83 FFAR4 (0.71) FFAR4GAAALDH1A1PKMMEN1
SCHEMBL10618991 0.83 FFAR4 (1.00) FFAR4GAAALDH1A1PKMMEN1
SCHEMBL17557158 0.83 FFAR4 (0.71) FFAR4GAAGFERAPOBEC3GALDH1A1
SCHEMBL6570574 0.83 ALDH1A1 (0.72) FFAR4GAAALDH1A1PKMMEN1
SCHEMBL9749511 0.83 FFAR4 (0.71) FFAR4GAAALDH1A1PKMMEN1
SCHEMBL9906419 0.81 FFAR4 (0.67) FFAR4GAAALDH1A1PKMMEN1
SCHEMBL17978495 0.80 FFAR4 (0.66) FFAR4GAAALDH1A1HPGDMEN1
SCHEMBL5499416 0.79 CA12 (0.54) FFAR4GAAALDH1A1HPGDPKM
SCHEMBL10578347 0.78 FFAR4 (0.64) FFAR4GAAGFERAPOBEC3GALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed