SCHEMBL118278

SCHEMBL118278

Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 8/20 0.53
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TTR P02766 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTSB P07858 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4895836 1.00 GPR35 (0.53) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL28704051 0.86 GPR35 (0.53) GPR35ALDH1A1MEN1MAPTKMT2A
Propane SCHEMBL28623151 0.81 GPR35 (0.49) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL4334775 0.80 GPR35 (0.44) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL29262876 0.79 GPR35 (0.63) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL9500870 0.78 GPR35 (0.68) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL30785537 0.76 GPR35 (0.59) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL2224314 0.76 GPR35 (0.59) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL8083889 0.74 GPR35 (0.58) GPR35ALDH1A1MEN1MAPTKMT2A
SCHEMBL28534504 0.73 ALDH1A1 (0.43) GPR35ALDH1A1MAPTKMT2ACYP1A2

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 5703 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
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-20250017207-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2025-01-16 US claimed
EP-4422402-A1 FUNGICIDAL COMPOSITIONS COMPRISING FLUDIOXONIL Syngenta Crop Protection AG (CH) 2024-09-04 EP 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