SCHEMBL163300

SCHEMBL163300

CCCCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57
TXNRD1 Q16881 4/20 0.49
GSR P00390 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7295543 0.85 ALDH1A1 (0.59) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL7295551 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL18316533 0.82 ALDH1A1 (0.62) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL28592121 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL5713455 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL9585984 0.80 TXNRD1 (0.47) MAPK1CYP3A4TXNRD1GSRMEN1
SCHEMBL2362856 0.79 TXNRD1 (0.54) ALDH1A1TXNRD1GSRMEN1KMT2A
SCHEMBL9453001 0.79 TXNRD1 (0.54) ALDH1A1TXNRD1GSRMEN1KMT2A
SCHEMBL29195068 0.79 ALDH1A1 (0.52) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8576116 0.78 GUSB (0.49) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6

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 3109 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-20240188569-A1 NEW YEAST STRAIN AND ITS USES FOR THE CONTROL OF PHYTOPATHOGENS AGROVENTURES LLC (US) 2024-06-13 US claimed
US-20240138408-A1 COMPOSITION COMPRISING BENZYLAMINE ACARICIDE AND USE THEREOF SHANGDONG KANGIAO BIO-TECHNOLOGY CO., LTD (CN) 2024-05-02 US claimed
EP-4323496-A1 NEW YEAST STRAIN AND ITS USES FOR THE CONTROL OF PHYTOPATHOGENS AGROVENTURES S.R.L. (IT) 2024-02-21 EP claimed
WO-2023212494-A2 PREDICTIVE PESTICIDE RESISTANCE INFORMATION GENERATION AND USE PIONEER HI-BRED INTERNATIONAL, INC. (US) 2023-11-02 WO claimed
EP-3614845-B1 FUNGICIDAL COMBINATIONS UPL LTD (IN) 2023-11-01 EP claimed
EP-4255175-A1 PREDICTIVE PESTICIDE RESISTANCE MAP GENERATION AND USE Pioneer Hi-Bred International, Inc. (US) 2023-10-11 EP claimed
US-20120195974-A1 CONTROLLING MEALYBUGS DOW AGROSCIENCES LLC (US) 2012-08-02 US claimed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO claimed
WO-2012061288-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO claimed
US-20120110701-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-03 US claimed
US-20120110702-A1 Pesticidal Compositions and Processes Related Thereto CORTEVA AGRISCIENCE LLC 2012-05-03 US claimed
CN-102143841-A Gelatinous elastomer compositions SILIPOS INC 2011-08-03 CN claimed
EP-2323844-A1 GELATINOUS ELASTOMER COMPOSITIONS Silipos Inc. (US) 2011-05-25 EP claimed
US-7795456-B2 Insecticidal N-substituted sulfoximines DOW AGROSCIENCES LLC (US) 2010-09-14 US claimed
WO-2010030824-A1 GELATINOUS ELASTOMER COMPOSITIONS SILIPOS, INC. (US) 2010-03-18 WO claimed
US-20100063008-A1 GELATINOUS ELASTOMER COMPOSITIONS SILIPOS, INC. (US) 2010-03-11 US claimed