SCHEMBL11086830

SCHEMBL11086830

O=[N+]([O-])c1cc(C(F)(F)F)ccc1SCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C19 P33261 2/20 0.62
POLB P06746 2/20 0.62
MAPT P10636 5/20 0.57
LMNA P02545 3/20 0.57
HPGD P15428 4/20 0.57
HTT P42858 2/20 0.54
GAA P10253 1/20 0.52
GSTP1 P09211 1/20 0.51
GSTM2 P28161 1/20 0.51
THRB P10828 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL9575567 0.90 HPGD (0.55) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL14383981 0.86 CYP1A2 (0.57) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL6901685 0.85 MEN1 (0.49) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL5376331 0.81 MEN1 (0.65) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL11709219 0.79 MAPT (0.69) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8668348 0.79 PDE7A (0.62) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL10263365 0.79 CYP3A4 (0.61) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL8534010 0.78 MAPT (0.62) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL10607143 0.77 MEN1 (0.62) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL13220796 0.77 HPGD (0.73) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0023141-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, COMPOSITIONS CONTAINING THEM, INTERMEDIATES THEREFOR AND PREPARATION OF SUCH INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-04-11 EP disclosed
US-4417917-A BENZENE DISULFONIC ACID DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-11-29 US disclosed
EP-0070041-A2 Substituted benzenesulfonyl isocyanates and isothiocyanates and processes for their preparation E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-19 EP disclosed
US-4310346-A HERBICIDES AND PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-12 US disclosed
EP-0023141-A2 Herbicidal sulfonamides, preparation and use thereof, compositions containing them, intermediates therefor and preparation of such intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-28 EP disclosed