SCHEMBL135804

SCHEMBL135804

C=C(C)CN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.76
CYP3A4 P08684 3/20 0.76
MAPK1 P28482 3/20 0.76
TSHR P16473 2/20 0.76
MAPT P10636 2/20 0.62
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
HCAR3 P49019 1/20 0.41
ALDH3A1 P30838 1/20 0.40
HPD P32754 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN5 P54829 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
SCHEMBL9451050 1.00 TDP1 (0.76) TDP1CYP3A4MAPK1TSHRMAPT
Isopropalin SCHEMBL17555757 0.91 TDP1 (0.67) TDP1CYP3A4MAPK1TSHRMAPT
Ethalfluralin SCHEMBL55014 0.90 CYP3A4 (0.64) TDP1CYP3A4MAPK1TSHRMAPT
Ethalfluralin SCHEMBL4899703 0.90 CYP3A4 (0.64) TDP1CYP3A4MAPK1TSHRMAPT
Trifluralin SCHEMBL8409474 0.87 TDP1 (1.00) TDP1CYP3A4MAPK1TSHRMAPT
Trifluralin SCHEMBL21994 0.87 TDP1 (1.00) TDP1CYP3A4MAPK1TSHRMAPT
SCHEMBL11204357 0.84 TDP1 (0.89) TDP1CYP3A4MAPK1TSHRMAPT
SCHEMBL11202092 0.82 CYP3A4 (0.89) TDP1CYP3A4MAPK1TSHRMAPT
SCHEMBL20472302 0.81 TDP1 (0.82) TDP1CYP3A4MAPK1TSHRMAPT
Fluchloralin SCHEMBL54746 0.81 CYP3A4 (0.86) TDP1CYP3A4MAPK1TSHRMAPT

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 3749 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
US-20230247988-A1 HERBICIDE COMBINATIONS UPL LTD (IN) 2023-08-10 US claimed
US-20230139897-A1 SOLID HERBICIDE COMPOSITION AND THE USE THEREOF ROTAM AGROCHEM INTERNATIONAL COMPANY LIMITED (HK) 2023-05-04 US claimed
EP-4171230-A1 HERBICIDE COMBINATIONS UPL Limited (IN) 2023-05-03 EP 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
EP-3247698-B1 CRYSTALLINE MODIFICATION OF PROPANIL UPL LTD (IN) 2022-10-19 EP claimed
EP-1429609-B1 HERBICIDAL MIXTURES BASED ON 3-PHENYLURACILS BASF AG (DE) 2007-03-07 EP claimed
EP-1458237-B1 HERBICIDAL MIXTURE BASED ON 7-PYRAZOLYLBENZOXAZOLES BASF AG (DE) 2006-04-12 EP claimed
US-20050037923-A1 Herbicidal mixture based on 7-pyrazolybenzoxazoles BASF AKTIENGESELLSCHAFT (DE) 2005-02-17 US claimed
US-20040235665-A1 used in combination with other herbicides and possibly plant safening agents in order to reduce toxic effect on plants BASF AKTIENGESELLSCHAFT (DE) 2004-11-25 US claimed
EP-1458237-A1 HERBICIDAL MIXTURE BASED ON 7-PYRAZOLYLBENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2004-09-22 EP claimed
EP-1429609-A1 HERBICIDAL MIXTURES BASED ON 3-PHENYLURACILS BASF AKTIENGESELLSCHAFT (DE) 2004-06-23 EP claimed
WO-2003051122-A1 HERBICIDAL MIXTURE BASED ON 7-PYRAZOLYLBENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-26 WO claimed
WO-2003024221-A1 HERBICIDAL MIXTURES BASED ON 3-PHENYLURACILS BASF AKTIENGESELLSCHAFT (DE) 2003-03-27 WO claimed
EP-0257771-B1 Herbicidal method using diflufenican MAY & BAKER LTD (GB) 1994-03-23 EP claimed
EP-0257771-A1 Herbicidal method using diflufenican RHONE-POULENC AGRICULTURE LTD. (GB) 1988-03-02 EP claimed