Sugi Predict

Sugi Predict / Compounds / Benfluralin

Benfluralin

Benfluralin

SCHEMBL8539486

CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-].CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 1.00
▸ CYP3A4 P08684 3/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ TDP1 Q9NUW8 4/20 0.74
▸ TSHR P16473 2/20 0.74
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TXNRD1 Q16881 1/20 0.46
▸ TXNRD3 Q86VQ6 1/20 0.46
▸ TXNRD2 Q9NNW7 1/20 0.46
▸ PTPN5 P54829 1/20 0.40
▸ VCAM1 P19320 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
Benfluralin SCHEMBL16934804 1.00 MAPT (1.00) MAPTCYP3A4MAPK1TDP1TSHR
Benfluralin SCHEMBL16198437 1.00 MAPT (1.00) MAPTCYP3A4MAPK1TDP1TSHR
Benfluralin SCHEMBL55008 1.00 MAPT (1.00) MAPTCYP3A4MAPK1TDP1TSHR
Benfluralin SCHEMBL6234783 0.99 MAPT (0.97) MAPTCYP3A4MAPK1TDP1TSHR
Benfluralin SCHEMBL8522913 0.96 CYP3A4 (0.92) MAPTCYP3A4MAPK1TDP1TSHR
SCHEMBL7181566 0.94 MAPT (0.89) MAPTCYP3A4MAPK1TDP1TSHR
Benfluralin SCHEMBL28256495 0.94 MAPT (0.88) MAPTCYP3A4MAPK1TDP1TSHR
SCHEMBL11202092 0.92 CYP3A4 (0.89) MAPTCYP3A4MAPK1TDP1TSHR
SCHEMBL11204357 0.92 TDP1 (0.89) MAPTCYP3A4MAPK1TDP1TSHR
Benfluralin SCHEMBL7169303 0.89 MAPT (0.78) MAPTCYP3A4MAPK1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970077-A1 THERMAL SALT-SPLITTING OF (ALKYL)AMMONIUM 3-HYDROXYPROPIONATE Dow Global Technologies LLC (US) 2016-01-20 — — EP disclosed
EP-2928295-A1 WEED CONTROL AND ROOT BARRIER Ruskin, Rodney (US) 2015-10-14 — — EP disclosed
WO-2014151266-A1 THERMAL SALT-SPLITTING OF (ALKYL)AMMONIUM 3-HYDROXYPROPIONATE DOW GLOBAL TECHNOLOGIES LLC (US) 2014-09-25 — — WO disclosed
WO-2014085202-A1 WEED CONTROL AND ROOT BARRIER RUSKIN RODNEY (US) 2014-06-05 — — WO disclosed
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
US-5354726-A Hydrophilic and hydrophobic solvents prevent precipitation on extended storage ISP INVESTMENTS INC. (US) 1994-10-11 — — US disclosed
WO-1992013861-A1 HERBICIDAL BICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 — — WO disclosed
WO-1992004827-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-02 — — WO disclosed
EP-0457802-A1 HERBICIDAL OXABICYCLONONANE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-27 — — EP disclosed
WO-1990009383-A1 HERBICIDAL OXABICYCLONONANE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-23 — — WO disclosed