SCHEMBL8538852

SCHEMBL8538852

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 4/20 0.57
▸ FLT4 P35916 4/20 0.57
▸ KDR P35968 4/20 0.57
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ MAOB P27338 2/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA3 P07451 2/20 0.50
▸ CA4 P22748 2/20 0.50
▸ CA6 P23280 2/20 0.50
▸ CA5A P35218 2/20 0.50
▸ CA7 P43166 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA13 Q8N1Q1 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ CA5B Q9Y2D0 2/20 0.50

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
Sulfuric Acid SCHEMBL10534239 0.94 FLT1 (0.58) FLT1FLT4KDRCYP1A2CYP2C9
SCHEMBL7767864 0.91 CYP1A2 (0.58) FLT1FLT4KDRCYP1A2CYP2C9
SCHEMBL3911788 0.88 FLT1 (0.58) FLT1FLT4KDRCYP1A2CYP2C9
SCHEMBL28180410 0.87 CYP1A2 (0.67) FLT1FLT4KDRCYP1A2CYP2C9
SCHEMBL11320631 0.87 CYP1A2 (0.67) FLT1FLT4KDRCYP1A2CYP2C9
SCHEMBL2724772 0.87 CYP1A2 (0.67) FLT1FLT4KDRCYP1A2CYP2C9
SCHEMBL29242 0.87 CYP1A2 (0.67) FLT1FLT4KDRCYP1A2CYP2C9
Sulfamide SCHEMBL9749647 0.85 CA1 (0.63) FLT1FLT4KDRCYP1A2CYP2C9
SCHEMBL7769139 0.85 CYP1A2 (0.56) FLT1FLT4KDRCYP1A2CYP2C9
Methyl Alcohol SCHEMBL27437903 0.85 CYP1A2 (0.60) FLT1FLT4KDRCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295527-B1 Process for the preparation of 3-aminophenyl-2-hydroxyethylsulfon BAYER AG (DE) 1994-03-02 — — EP claimed
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
EP-0600339-B1 Method for the preparation of sodium salts of aromatic sulphinic acids containing nitro groups BAYER AG (DE) 1996-01-10 — — EP disclosed
EP-0600339-A1 Method for the preparation of sodium salts of aromatic sulphinic acids containing nitro groups BAYER AG (DE) 1994-06-08 — — EP disclosed
EP-0295527-B1 Process for the preparation of 3-aminophenyl-2-hydroxyethylsulfon BAYER AG (DE) 1994-03-02 — — EP disclosed
EP-0205079-B1 ACID DISULFIMIDE TRIPHENODIOXAZINE DYES BAYER AG (DE) 1992-01-22 — — EP disclosed
EP-0229339-B1 WATER SOLUBLE TRIPHENE DIOXAZINE COMPOUNDS, THEIR STARTING COMPOUNDS CONTAINING SULPHONYL GROUPS, PROCESS FOR THEIR PREPARATION AND USE OF THE TRIPHENE DIOXAZINES AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-16 — — EP disclosed
EP-0222098-B1 WATER SOLUBLE TRIPHENODIOXAZINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-02 — — EP disclosed
US-4851527-A Water-soluble triphendioxazine compounds HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 — — US disclosed
EP-0295527-A2 Process for the preparation of 3-aminophenyl-2-hydroxyethylsulfon BAYER AG (DE) 1988-12-21 — — EP disclosed
EP-0229339-A2 Water soluble triphene dioxazine compounds, their starting compounds containing sulphonyl groups, process for their preparation and use of the triphene dioxazines as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-22 — — EP disclosed
EP-0222098-A2 Water soluble triphenodioxazine compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-05-20 — — EP disclosed
EP-0205079-A2 Acid disulfimide triphenodioxazine dyes BAYER AG (DE) 1986-12-17 — — EP disclosed
EP-0148390-A2 Basic triphendioxazine dyes, their manufacture and their use BAYER AG (DE) 1985-07-17 — — EP disclosed
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