SCHEMBL5141227

SCHEMBL5141227

C=CCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TTR P02766 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
RECQL P46063 1/20 0.54
PMP22 Q01453 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 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
SCHEMBL30853117 1.00 GPR35 (0.54) GPR35ALDH1A1HPGDMAPK1TDP1
SCHEMBL6445118 0.83 GABRA1 (0.47) GPR35ALDH1A1HPGDMAPK1TDP1
SCHEMBL16345283 0.83 ERN1 (0.54) GPR35ALDH1A1HPGDMAPK1TDP1
SCHEMBL7040026 0.83 MAPT (0.46) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL15667473 0.83 GPR35 (0.61) GPR35ALDH1A1HPGDTDP1MEN1
SCHEMBL16711728 0.83 GPR35 (0.54) GPR35ALDH1A1HPGDMAPK1TDP1
SCHEMBL8178061 0.83 ALDH1A1 (0.41) GPR35ALDH1A1HPGDMAPK1TDP1
SCHEMBL1978371 0.83 MEN1 (0.41) GPR35ALDH1A1HPGDMAPK1TDP1
SCHEMBL3214440 0.81 XDH (0.59) GPR35ALDH1A1HPGDTDP1MEN1
SCHEMBL68433 0.81 GPR35 (0.63) GPR35ALDH1A1HPGDMAPK1TDP1

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

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000062792-A2 COMPOSITIONS AND METHODS FOR CONTROLLING PESTS INSECT BIOTECHNOLOGY, INC. (US) 2000-10-26 WO claimed
US-4439374-A SULFURIC ACID, POLYBASIC CARBOXYLIC ACID ETHYL CORPORATION (US) 1984-03-27 US claimed
CN-117924092-A Preparation method of 2-allyl-4-nitrophenol 棓诺(苏州)新材料有限公司 2024-04-26 CN disclosed
EP-1691604-B1 CORROSION INHIBITORS FOR AQUEOUS PESTICIDE FORMULATIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-01-07 EP disclosed
US-8278245-B2 Corrosion inhibitors for aqueous pesticide formulations SYNGENTA CROP PROTECTION LLC (US) 2012-10-02 US disclosed
US-20080039329-A1 Corrosion Inhibitors for Aqueous Pesticide Formulations SYNGENTA CROP PROTECTION AG (CH) 2008-02-14 US disclosed
EP-1691604-A4 CORROSION INHIBITORS FOR AQUEOUS PESTICIDE FORMULATIONS SYNGENTA PARTICIPATIONS AG (CH) 2007-02-28 EP disclosed
EP-1691604-A2 CORROSION INHIBITORS FOR AQUEOUS PESTICIDE FORMULATIONS Syngenta Participations AG (CH) 2006-08-23 EP disclosed
WO-2005060492-A2 CORROSION INHIBITORS FOR AQUEOUS PESTICIDE FORMULATIONS SYNGENTA PARTICIPATIONS AG (CH) 2005-07-07 WO disclosed
US-6593299-B1 Applying to a pest-inhabited locus of the geographical area the pesticidal peptide Tyr-Asp-Pro-Ala-Phe and applying a pest attractant and in the proximity of the pesticidal composition such that pests are attracted to it UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2003-07-15 US disclosed
US-6339177-B1 TO INHIBIT OLEFIN POLYMERIZATION BY DEACTIVATING RADICALS THAT LEAD TO POLYMERIZATION SEA LION TECHNOLOGY, INC. 2002-01-15 US disclosed
WO-2000062792-A2 COMPOSITIONS AND METHODS FOR CONTROLLING PESTS INSECT BIOTECHNOLOGY, INC. (US) 2000-10-26 WO disclosed
EP-0113857-B1 HERBICIDAL AGENTS BAYER AG (DE) 1986-07-30 EP disclosed
US-4524222-A Alkylated phenol purification ETHYL CORPORATION (US) 1985-06-18 US disclosed
US-4439374-A SULFURIC ACID, POLYBASIC CARBOXYLIC ACID ETHYL CORPORATION (US) 1984-03-27 US disclosed
US-4137273-A INSECTICIDES, CHEMICAL INTERMEDIATES ZOECON CORPORATION (US) 1979-01-30 US disclosed
US-4057419-A 2,4-Bis-(trifluoromethyl)-6-nitrophenol compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed
US-3943180-A 2,4-Bis-(trifluoromethyl)-6-nitrophenol compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 US disclosed