SCHEMBL8536233

SCHEMBL8536233

CCSc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.47
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE2A O00408 1/20 0.39
PDE5A O76074 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
PDE4A P27815 1/20 0.39
BLM P54132 1/20 0.39
PDE1B Q01064 1/20 0.39
PMP22 Q01453 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE1C Q14123 1/20 0.39
PDE7B Q9NP56 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
SCHEMBL8541216 0.80 TBXA2R (0.43) TBXA2RALDH1A1MAPTPDE2APDE5A
SCHEMBL8606043 0.78 NSD2 (0.40) ALDH1A1MAPTTDP1CYP3A4RAB9A
SCHEMBL17526121 0.77 ALDH1A1 (0.59) TBXA2RALDH1A1MAPTTDP1PDE2A
SCHEMBL8780795 0.77 ALDH1A1 (0.38) ALDH1A1MAPTCYP3A4RAB9ANPC1
SCHEMBL29859684 0.76 NHERF1 (0.55) TBXA2RALDH1A1MAPTTDP1RAB9A
SCHEMBL20789180 0.76 TBXA2R (0.46) TBXA2RALDH1A1MAPTTDP1PDE2A
SCHEMBL8536389 0.76 NHERF1 (0.55) TBXA2RALDH1A1MAPTTDP1RAB9A
SCHEMBL29539120 0.76 TBXA2R (0.46) TBXA2RALDH1A1MAPTTDP1PDE2A
SCHEMBL8780812 0.76 ALDH1A1 (0.37) ALDH1A1MAPTCYP3A4RAB9ANPC1
SCHEMBL6737493 0.74 NSD2 (0.44) ALDH1A1MAPTALOX15RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854179-A Sulfur-substituted phenylsulfonylureas, processes for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1998-12-29 US disclosed
EP-0842154-A1 SUBSTITUTED HYDRAZINOPHENYLSULFONYL UREAS, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1998-05-20 EP disclosed
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
EP-0790984-A1 SULPHUR-SUBSTITUTED PHENYL SULPHONYL UREAS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1997-08-27 EP disclosed
WO-1997000247-A1 SUBSTITUTED HYDRAZINOPHENYLSULFONYL UREAS, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1997-01-03 WO 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
WO-1996014303-A1 SULPHUR-SUBSTITUTED PHENYL SULPHONYL UREAS, PROCESS FOR THEIR PRODUCTION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1996-05-17 WO disclosed