SCHEMBL7450958

SCHEMBL7450958

COC(=O)c1ccc([N+](=O)[O-])cc1.O=S(=O)(O)Cl

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.77
▸ KMT2A Q03164 3/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ VCAM1 P19320 1/20 0.51
▸ CES1 P23141 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47

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
SCHEMBL27396578 0.95 POLB (0.79) POLBKMT2AMEN1ALDH1A1MAPK1
SCHEMBL306161 0.90 POLB (0.81) POLBKMT2AMEN1ALDH1A1MAPK1
Sulfamide SCHEMBL27805329 0.89 POLB (0.79) POLBKMT2AMEN1MAPK1VCAM1
Iodide SCHEMBL22235392 0.88 POLB (0.78) POLBKMT2AMEN1ALDH1A1MAPK1
SCHEMBL4236814 0.85 POLB (0.73) POLBKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3021443 0.85 POLB (0.73) POLBKMT2AMEN1ALDH1A1MAPK1
4-Nitrobenzoic Acid SCHEMBL27562391 0.82 TDP1 (0.70) POLBKMT2AMEN1MAPK1CES1
SCHEMBL31504041 0.82 POLB (0.69) POLBKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8273562 0.81 POLB (0.72) POLBKMT2AMEN1ALDH1A1MAPK1
SCHEMBL12973292 0.81 POLB (0.68) POLBKMT2AMEN1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858447-B1 METHODS OF PRODUCING AMINOPHENYLSULPHONYL CARBAMIDES AND INTERMEDIATE PRODUCTS FOR USE IN THE PROCESS AVENTIS CROPSCIENCE GMBH (DE) 2002-01-09 — — EP disclosed
EP-0858447-A1 METHODS OF PRODUCING AMINOPHENYLSULPHONYL CARBAMIDES AND INTERMEDIATE PRODUCTS FOR USE IN THE PROCESS Hoechst Schering AgrEvo GmbH (DE) 1998-08-19 — — EP disclosed
WO-1997016419-A1 METHODS OF PRODUCING AMINOPHENYLSULPHONYL CARBAMIDES AND INTERMEDIATE PRODUCTS FOR USE IN THE PROCESS HOECHST SCHERING AGREVO GMBH (DE) 1997-05-09 — — WO disclosed
EP-0666852-B1 NEW PHENYLSULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1997-01-22 — — EP disclosed
EP-0666852-A1 NEW PHENYLSULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS. HOECHST SCHERING AGREVO GMBH (DE) 1995-08-16 — — EP disclosed
EP-0660828-A1 HYDROXYL AMINO PHENYL SULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1995-07-05 — — EP disclosed
WO-1994010154-A1 NEW PHENYLSULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1994-05-11 — — WO disclosed
WO-1994006778-A1 HYDROXYL AMINO PHENYL SULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1994-03-31 — — WO disclosed
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