SCHEMBL39558

SCHEMBL39558

Nc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HIF1A Q16665 1/20 0.48
TXNRD1 Q16881 1/20 0.48
TXNRD3 Q86VQ6 1/20 0.48
TXNRD2 Q9NNW7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GABRA2 P47869 16/20 0.45
GABRB2 P47870 16/20 0.45
GABRP O00591 15/20 0.45
GABRD O14764 15/20 0.45
GABRA1 P14867 15/20 0.45
GABRB1 P18505 15/20 0.45
GABRG2 P18507 15/20 0.45
GABRB3 P28472 15/20 0.45
GABRA5 P31644 15/20 0.45
GABRA3 P34903 15/20 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
SCHEMBL10388804 0.93 CYP3A4 (0.43) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL9526043 0.86 TDP1 (0.50) ALDH1A1CYP3A4HPGDALOX15TSHR
Clopyralid SCHEMBL7586160 0.85 GABRA2 (0.42) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL10609185 0.85 PKM (0.47) ALDH1A1CYP3A4HPGDTSHR
Simazine SCHEMBL7581596 0.85 GABRB3 (0.37) CYP3A4TDP1GABRA2GABRB2GABRP
SCHEMBL7561759 0.85 GABRA2 (0.42) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL10347991 0.84 TDP1 (0.48) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL10548001 0.84 TDP1 (0.48) ALDH1A1CYP3A4HPGDALOX15TSHR
Pyrazon SCHEMBL7584298 0.84 SMN1; SMN2 (0.42) ALDH1A1CYP3A4HPGDALOX15TSHR
Ioxynil SCHEMBL7582932 0.84 GABRA2 (0.42) ALDH1A1CYP3A4HPGDALOX15TSHR

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 5336 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-20230139897-A1 SOLID HERBICIDE COMPOSITION AND THE USE THEREOF ROTAM AGROCHEM INTERNATIONAL COMPANY LIMITED (HK) 2023-05-04 US claimed
US-20230000079-A1 COMBINATION COMPRISING A TRIKETONE HERBICIDE AND A DIPHENYLETHER HERBICIDE, AND A METHOD FOR MAKING AND USING THE COMBINATION Generic Crop Science LLC (US) 2023-01-05 US claimed
US-20220361496-A1 HERBICIDE COMPOSITIONS UPL Corporation Limited (MU) 2022-11-17 US claimed
US-20220132848-A1 HERBICIDAL COMBINATION UPL LIIMTED (IN) 2022-05-05 US claimed
US-20220079155-A1 Herbicidal Combination UPL LTD (IN) 2022-03-17 US claimed
EP-3954214-A1 MULTIPURPOSE BIOLOGICAL COMPOSITIONS Agrivalle Brasil Industria e Comércio de Produtos Agrícolas Ltda (BR) 2022-02-16 EP claimed
WO-2002015694-A2 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2002-02-28 WO claimed
EP-0986303-B1 HERBICIDAL COMPOSITIONS ISAGRO RICERCA SRL (IT) 2001-12-12 EP claimed
US-6288306-B1 TRANSFORMATION, GENE EXPRESSION, GENETIC ENGINEERING; HERBICIDE TOLERANCE SYNGENTA INVESTMENT CORPORATION 2001-09-11 US claimed
EP-1087664-A1 HERBICIDAL MIXTURES HAVING A SYNERGISTIC EFFECT BASF AKTIENGESELLSCHAFT (DE) 2001-04-04 EP claimed
EP-0986303-A1 HERBICIDAL COMPOSITIONS ISAGRO RICERCA S.r.l. (IT) 2000-03-22 EP claimed
WO-1999065314-A1 HERBICIDAL MIXTURES HAVING A SYNERGISTIC EFFECT BASF AKTIENGESELLSCHAFT (DE) 1999-12-23 WO claimed
WO-1998054967-A1 HERBICIDAL COMPOSITIONS ISAGRO RICERCA S.R.L. (IT) 1998-12-10 WO claimed
EP-0859548-A1 HERBICIDAL MIXTURES HAVING A SYNERGISTIC EFFECT BASF AKTIENGESELLSCHAFT (DE) 1998-08-26 EP claimed
WO-1997010714-A1 HERBICIDAL MIXTURES HAVING A SYNERGISTIC EFFECT BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO claimed
EP-0154115-B1 HERBICIDAL COMPOSITIONS BASED ON DERIVATIVES OF PYRAZOLES BAYER AG (DE) 1988-10-26 EP claimed