SCHEMBL1901209

SCHEMBL1901209

O=[N+]([O-])c1ccc(OP(O)(=S)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CES2 O00748 2/20 0.62
CES1 P23141 2/20 0.62
ALDH1A1 P00352 6/20 0.57
MAPK1 P28482 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.57
CYP3A4 P08684 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TP53 P04637 1/20 0.57
THRB P10828 1/20 0.57
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 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
SCHEMBL7294901 0.87 ALDH1A1 (0.57) CA1CA2CES2CES1ALDH1A1
SCHEMBL548572 0.85 CA1 (0.65) CA1CA2CES2CES1ALDH1A1
Methane SCHEMBL11686999 0.85 CES2 (0.60) CA1CA2CES2CES1ALDH1A1
SCHEMBL955844 0.82 CA1 (0.70) CA1CA2CES2CES1ALDH1A1
SCHEMBL30663377 0.81 ALDH1A1 (0.63) CA1CA2CES2CES1ALDH1A1
SCHEMBL10405347 0.81 CA1 (0.59) CA1CA2CES2CES1ALDH1A1
SCHEMBL548571 0.81 L3MBTL1 (0.63) CA1CA2CES2CES1ALDH1A1
P-Nitrophenylphosphate SCHEMBL2771528 0.81 CA1 (0.86) CA1CA2CES2CES1ALDH1A1
SCHEMBL233887 0.81 CES2 (0.86) CA1CA2CES2CES1ALDH1A1
SCHEMBL5933832 0.80 ALDH1A1 (0.61) CA1CA2CES2CES1ALDH1A1

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018190323-A1 HARMFUL ORGANISM CONTROL COMPOSITION CONTAINING PYRIDONE COMPOUND AND HARMFUL ORGANISM CONTROL AGENT, AND HARMFUL ORGANISM CONTROL METHOD 三井化学アグロ株式会社 2018-10-18 WO claimed
EP-4365172-A1 HETEROCYCLIC COMPOUND AND HARMFUL-ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME Sumitomo Chemical Company, Limited (JP) 2024-05-08 EP disclosed
US-11950592-B2 Method for enhancing plant disease controlling effects of aryl phenyl ketone fungicide, and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2024-04-09 US disclosed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
CN-115135384-B Benzimidazole compound or salt thereof, agricultural and horticultural insecticide/acaricide containing the same, and method for using the same 日本农药株式会社 2024-03-22 CN disclosed
WO-2024005032-A1 AZEPANDIONE DERIVATIVE OR SALT THEREOF, HARMFUL ORGANISM CONTROL AGENT CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME 株式会社ADEKA 2024-01-04 WO disclosed
EP-4299557-A1 PHENYLACETIC ACID DERIVATIVE, USE THEREFOR, AND PRODUCTION INTERMEDIATE THEREOF Sumitomo Chemical Company Limited (JP) 2024-01-03 EP disclosed
WO-2023249039-A1 TRIAZINANE COMPOUND AND COMPOSITION CONTAINING SAME 住友化学株式会社 2023-12-28 WO disclosed
WO-2023243677-A1 PLANT DISEASE CONTROL METHOD 住友化学株式会社 2023-12-21 WO disclosed
CN-110573496-B N- (4-pyridyl) nicotinamide compound or salt thereof 石原产业株式会社 2023-10-24 CN disclosed
US-20100168030-A1 Methods and compositions for treatment of organophosphate-caused pathology ARMY, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2010-07-01 US disclosed
WO-2009155115-A2 COATINGS AND SURFACE TREATMENTS HAVING ACTIVE ENZYMES AND PEPTIDES REACTIVE SURFACES, LTD. (US) 2009-12-23 WO disclosed
US-20090238811-A1 Enzymatic Antimicrobial and Antifouling Coatings and Polymeric Materials REACTIVE SURFACES LTD. 2009-09-24 US disclosed
EP-0393911-B1 Fungicidal oxazolidinones DU PONT (US) 1994-08-31 EP disclosed
EP-0286346-B1 Insecticidal substituted indazoles DU PONT (US) 1994-04-06 EP disclosed
EP-0251086-B1 ANTIFUNGAL CARBINOLS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 EP disclosed
EP-0449187-A2 Piperidin ether derivatives as psychotropic drugs or plant fungicides THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-10-02 EP disclosed
EP-0321211-A1 Antifungal carbinols E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-21 EP disclosed
EP-0300692-A1 Insecticidal pyrazolines E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-01-25 EP disclosed
EP-0223521-A2 Insecticidal and acaricidal phenoxypyridinyl esters and intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-27 EP disclosed