Sugi Predict

Sugi Predict / Compounds / Dinoseb

Dinoseb

Dinoseb

SCHEMBL8534879

CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.62
▸ GPR35 Q9HC97 7/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ TTR P02766 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ GRM8 O00222 1/20 0.45
▸ GRM4 Q14833 1/20 0.45

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
Dinoseb SCHEMBL54664 1.00 TDP1 (0.62) TDP1GPR35ALDH1A1KMT2AMEN1
Dinoseb SCHEMBL29365762 1.00 TDP1 (0.62) TDP1GPR35ALDH1A1KMT2AMEN1
Dinoseb SCHEMBL29400673 0.98 TDP1 (0.61) TDP1GPR35ALDH1A1KMT2AMEN1
Dinoseb SCHEMBL5933971 0.98 TDP1 (0.61) TDP1GPR35ALDH1A1KMT2AMEN1
Dinoseb SCHEMBL9949230 0.98 TDP1 (0.61) TDP1GPR35ALDH1A1KMT2AMEN1
Dinoseb SCHEMBL11343942 0.93 GPR35 (0.68) TDP1GPR35ALDH1A1KMT2AMEN1
Dinoseb SCHEMBL11790365 0.91 TDP1 (0.57) TDP1GPR35ALDH1A1KMT2AMEN1
SCHEMBL11776456 0.90 TDP1 (0.57) TDP1GPR35ALDH1A1KMT2AMEN1
Dinoseb SCHEMBL5933953 0.89 TDP1 (0.53) TDP1GPR35ALDH1A1KMT2AMEN1
Dinoseb SCHEMBL31734134 0.89 TDP1 (0.53) TDP1GPR35ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 — — EP disclosed
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 — — US disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 — — US disclosed
EP-0574418-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1993-12-22 — — EP disclosed
EP-0548264-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES. DU PONT (US) 1993-06-30 — — EP disclosed
EP-0546082-A1 HERBICIDAL PYRROLESULFONYLUREAS. DU PONT (US) 1993-06-16 — — EP disclosed
WO-1992020684-A1 HERBICIDAL OXATRICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-26 — — WO disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 — — WO disclosed
WO-1992009587-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 — — WO disclosed
WO-1992004827-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-02 — — WO disclosed
EP-0413730-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-02-27 — — EP disclosed
WO-1989010694-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-16 — — WO disclosed
EP-0019796-A1 Propionic acid esters, preparation of these compounds, herbicides containing these compounds as active substances, and the use of such compounds and agents for combating weeds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-12-10 — — EP disclosed