SCHEMBL118439

SCHEMBL118439

CCCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.51
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TTR P02766 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
RECQL P46063 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GRM8 O00222 1/20 0.46
GRM4 Q14833 1/20 0.46

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
SCHEMBL29389790 1.00 GPR35 (0.51) GPR35ALDH1A1KMT2ATDP1MEN1
SCHEMBL1506606 0.90 GPR35 (0.48) GPR35ALDH1A1KMT2ATDP1MEN1
SCHEMBL29511208 0.89 GPR35 (0.47) GPR35ALDH1A1KMT2ATDP1MEN1
SCHEMBL1854850 0.89 GPR35 (0.47) GPR35ALDH1A1KMT2ATDP1MEN1
Dinoseb SCHEMBL8534879 0.88 TDP1 (0.62) GPR35ALDH1A1KMT2ATDP1MEN1
Dinoseb SCHEMBL54664 0.88 TDP1 (0.62) GPR35ALDH1A1KMT2ATDP1MEN1
Dinoseb SCHEMBL29365762 0.88 TDP1 (0.62) GPR35ALDH1A1KMT2ATDP1MEN1
SCHEMBL4334775 0.88 GPR35 (0.44) GPR35ALDH1A1KMT2ATDP1MEN1
Dinoseb SCHEMBL5933971 0.87 TDP1 (0.61) GPR35ALDH1A1KMT2ATDP1MEN1
Dinoseb SCHEMBL29400673 0.87 TDP1 (0.61) GPR35ALDH1A1KMT2ATDP1MEN1

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 6103 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137082-A1 FUNGICIDAL COMPOSITIONS COMPRISING FLUDIOXONIL SYNGENTA CROP PROTECTION AG (CH) 2026-05-21 US claimed
US-20250366479-A1 Non-Aqueous Organo Liquid Delivery Systems containing dispersed Organo Polycarboxylate Functionalities that improves efficiencies and properties of nitrogen sources SOILGENIC TECH LLC (US) 2025-12-04 US claimed
WO-2025244856-A1 METHODS AND COMPOSITIONS RELATING TO ELQ COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2025-11-27 WO claimed
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
US-12471599-B2 Agricultural compositions comprising remodeled nitrogen fixing microbes PIVOT BIO, INC. (US) 2025-11-18 US 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
US-20250185667-A1 AGRICULTURAL COMPOSITIONS COMPRISING REMODELED NITROGEN FIXING MICROBES HSBC BANK USA, N.A. 2025-06-12 US claimed
EP-3578541-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-05-28 EP claimed
US-20250127161-A1 NON-AQUEOUS ORGANO LIQUID DELIVERY SYSTEMS CONTAINING DISPERSED POLY (ORGANIC ACIDS) THAT IMPROVE AVAILABILITY OF MACRO & MICRO-NUTRIENTS TO PLANTS SOILGENIC TECHNOLOGIES, LLC 2025-04-24 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
US-6683027-B2 SYNERGISTICALLY EFFECTIVE AMOUNT OF SUBSTITUTED 2-PHENYL PYRIMIDINE COMPOUNDS WITH OTHER HERBICIDAL COMPOUND, WHICH IS ACTIVE AGAINST BROAD-LEAVED WEEDS AND/OR ANNUAL GRASSES BASF AKTIENEGESELLSCHAFT (DE) 2004-01-27 US claimed
US-20030198659-A1 Fibrous pest control CORNELL RESEARCH FOUNDATION, INC. 2003-10-23 US claimed
WO-2003051122-A1 HERBICIDAL MIXTURE BASED ON 7-PYRAZOLYLBENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-26 WO claimed
EP-1313369-A2 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2003-05-28 EP claimed
WO-2003024221-A1 HERBICIDAL MIXTURES BASED ON 3-PHENYLURACILS BASF AKTIENGESELLSCHAFT (DE) 2003-03-27 WO claimed
US-20020055435-A1 Herbicidal mixtures INTELLECTUAL PROPERTY DEPARTMENT (DE) 2002-05-09 US claimed
WO-2002015694-A2 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2002-02-28 WO claimed