SCHEMBL8780976

SCHEMBL8780976

C=CCN(CCCCC)S(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
ESR2 Q92731 1/20 0.46
ESR1 P03372 2/20 0.46
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
NR1I2 O75469 1/20 0.44
C5AR1 P21730 1/20 0.43
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA9 Q16790 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
ABCC2 Q92887 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
UGT1A7 Q9HAW7 1/20 0.43
SLC22A11 Q9NSA0 1/20 0.43
P4HB P07237 1/20 0.43

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
SCHEMBL18763131 0.84 TDP1 (0.64) TDP1ESR2ESR1RAB9AMAPK1
SCHEMBL8349234 0.84 TDP1 (0.64) TDP1ESR2ESR1RAB9AMAPK1
SCHEMBL29173159 0.84 TDP1 (0.64) TDP1ESR2ESR1RAB9AMAPK1
SCHEMBL579010 0.84 TDP1 (0.64) TDP1ESR2ESR1RAB9AMAPK1
SCHEMBL11675019 0.83 LMNA (0.53) TDP1ESR1RAB9AC5AR1SMN1; SMN2
SCHEMBL1278659 0.83 TDP1 (0.67) TDP1ESR2ESR1RAB9AMAPK1
SCHEMBL3130566 0.83 TDP1 (0.62) TDP1ESR2ESR1RAB9AMAPK1
SCHEMBL4262910 0.82 ESR1 (0.53) TDP1ESR1RAB9AC5AR1SMN1; SMN2
SCHEMBL6714372 0.81 TDP1 (0.60) TDP1ESR2ESR1MAPK1NR1I2
SCHEMBL2057475 0.81 TDP1 (0.73) TDP1ESR2ESR1RAB9AMAPK1

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-0790985-A1 N-ACYL-N-ALKYLAMINO PHENYL SULPHONYL UREAS WITH SULPHUR SUBSTITUENTS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1997-08-27 EP disclosed
WO-1996014304-A1 N-ACYL-N-ALKYLAMINO PHENYL SULPHONYL UREAS WITH SULPHUR SUBSTITUENTS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1996-05-17 WO disclosed