Nitralin

Nitralin

SCHEMBL55012

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 SCHEMBL1701388 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

Appears in 7235 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
EP-3578542-B1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-12 EP claimed
EP-3578543-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-08-20 EP claimed
EP-3578541-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-05-28 EP claimed
US-20250057161-A1 USE OF CYCLODEXTRINS AS AGROCHEMICAL DELIVERY SYSTEM ADAMA MAKHTESHIM LTD. (IL) 2025-02-20 US claimed
EP-4472412-A1 HERBICIDAL COMBINATIONS UPL Corporation Limited (MU) 2024-12-11 EP claimed
US-12092618-B2 Extract recovery method and analysis method using polymer beads in a trap when using supercritical extraction SHIMADZU CORPORATION (JP) 2024-09-17 US claimed
US-20240237638-A1 USE OF NAPHTHALENE SULPHONATE AS COMPATIBILISER IN TANK MIX COMPOSITION SPECIALTY OPERATIONS FRANCE (FR) 2024-07-18 US claimed
US-20240130368-A1 HERBICIDAL COMPOSITION NIPPON SODA CO., LTD. (JP) 2024-04-25 US claimed
US-20240102976-A1 METHOD FOR SCREENING PESTICIDE RESIDUES IN MEDICINE FOOD HOMOLOGY CHARACTERISTIC AGRICULTUREAL PRODUCTS CHANGCHUN CUSTOMS TECHNOLOGY CENTER (CN) 2024-03-28 US claimed
EP-0185231-A1 Herbicidal composition MITSUBISHI KASEI CORPORATION (JP) 1986-06-25 EP claimed
EP-0126591-A1 Dinitroaniline compositions stabilized by incorporation of addition compound of bisulfite and aldehyde or ketone ELI LILLY AND COMPANY (US) 1984-11-28 EP claimed
EP-0070219-B1 HERBICIDAL COMPOSITIONS BASED ON 4-AMINO-6-CHLORO-5-ALKYLTHIOPYRIMIDINE DERIVATIVES AND 2,6-DINITROANILINE DERIVATIVES, AND METHOD OF TREATING CROPS WITH SAID COMPOSITIONS P C U K PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1984-10-24 EP claimed
EP-0070130-A1 Improvement in or relating to benzoylphenyl urea derivatives ELI LILLY AND COMPANY (US) 1983-01-19 EP claimed
EP-0070219-A1 Herbicidal compositions based on 4-amino-6-chloro-5-alkylthiopyrimidine derivatives and 2,6-dinitroaniline derivatives, and method of treating crops with said compositions P C U K PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1983-01-19 EP claimed
US-4226789-A Removal of nitrosamines from denitroanilines by treatment with HCl ELI LILLY AND COMPANY (US) 1980-10-07 US claimed
US-4185035-A REMOVAL OF NITROSAMINES WITH PHOSPHORUS HALIDES ELI LILLY AND COMPANY (US) 1980-01-22 US claimed
US-4156722-A FUNGICIDES, PARASITICIDES ELI LILLY AND COMPANY (US) 1979-05-29 US claimed
US-4127610-A REMOVAL OF NITROSAMINES ELI LILLY AND COMPANY (US) 1978-11-28 US claimed
US-4077795-A 2,4-DINITROANILINE DERIVATIVES UNION CARBIDE CORPORATION (US) 1978-03-07 US claimed