Nitralin

Nitralin

SCHEMBL1701388

CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-].CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.76
MAPK1 P28482 3/20 0.60
CYP3A4 P08684 2/20 0.60
TSHR P16473 1/20 0.60
VCAM1 P19320 7/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.45
ALDH3A1 P30838 1/20 0.43
HCAR3 P49019 1/20 0.43
MEN1 O00255 2/20 0.42
PKM P14618 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40

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
Nitralin SCHEMBL55012 1.00 TDP1 (0.76) TDP1MAPK1CYP3A4TSHRVCAM1
Nitralin SCHEMBL10505752 0.94 TDP1 (0.68) TDP1MAPK1CYP3A4TSHRVCAM1
SCHEMBL11804585 0.93 TDP1 (0.67) TDP1MAPK1CYP3A4TSHRVCAM1
Nitralin SCHEMBL8338510 0.93 TDP1 (0.89) TDP1MAPK1CYP3A4TSHRVCAM1
Nitralin SCHEMBL27489998 0.92 TDP1 (0.65) TDP1MAPK1CYP3A4TSHRVCAM1
SCHEMBL11576930 0.91 TDP1 (0.63) TDP1MAPK1CYP3A4TSHRVCAM1
Trifluralin SCHEMBL11059376 0.89 TDP1 (0.80) TDP1MAPK1CYP3A4TSHRVCAM1
SCHEMBL11573671 0.87 TDP1 (0.57) TDP1MAPK1CYP3A4TSHRVCAM1
Oryzalin SCHEMBL55377 0.86 TDP1 (1.00) TDP1MAPK1CYP3A4TSHRVCAM1
Oryzalin SCHEMBL8536571 0.86 TDP1 (1.00) TDP1MAPK1CYP3A4TSHRVCAM1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012003441-A1 SELF-EMULSIFYING OIL ISP INVESTMENTS INC. (US) 2012-01-05 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-5425955-A Emulsion concentrates; film forming for agriculture chemicals ISP INVESTMENTS INC. (US) 1995-06-20 US disclosed
US-5283229-A A concentrate emulsions comprising an active materials, a surfactant and an amide solvent mixtures to dissolve, dispersing the water insoluble active materials; stability ISP INVESTMENTS INC. (US) 1994-02-01 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
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-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-0463054-A1 SELECTIVE OXABICYCLOALKANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-02 EP disclosed
EP-0457802-A1 HERBICIDAL OXABICYCLONONANE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-27 EP disclosed
WO-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 WO disclosed
WO-1991010653-A1 HERBICIDAL PYRIMIDINES AND TRIAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 WO disclosed
WO-1991010668-A1 HERBICIDAL SULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 WO disclosed
WO-1991003464-A1 HERBICIDAL OXABICYCLO ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-21 WO disclosed
WO-1990012012-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-18 WO disclosed
WO-1990010634-A1 SELECTIVE OXABICYCLOALKANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-20 WO disclosed
WO-1990009383-A1 HERBICIDAL OXABICYCLONONANE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-23 WO disclosed