SCHEMBL8779304

SCHEMBL8779304

O=C1CN(c2ccccc2C(=O)O)C=N1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MYC P01106 3/20 0.44
NR4A1 P22736 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 3/20 0.41
APEX1 P27695 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
AKR1C3 P42330 1/20 0.38

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
SCHEMBL9370397 0.77 MYC (0.50) ALDH1A1ALOX15MYCL3MBTL1GAA
SCHEMBL8441014 0.75 ALDH1A1 (0.47) ALDH1A1ALOX15MEN1KMT2AMYC
SCHEMBL9862074 0.73 NPC1 (0.55) ALDH1A1MEN1KMT2AGAAPOLB
Phthalic Acid SCHEMBL29653616 0.70 ALDH1A1 (0.93) ALDH1A1ALOX15MYCNR4A1L3MBTL1
SCHEMBL29467270 0.68 NPC1 (0.68) ALDH1A1ALOX15MYCNR4A1L3MBTL1
SCHEMBL8048603 0.67 ALDH1A1 (0.61) ALDH1A1ALOX15MEN1KMT2AMYC
Phthalic Acid SCHEMBL1332278 0.67 ALDH1A1 (1.00) ALDH1A1ALOX15MYCNR4A1POLB
Phthalic Acid SCHEMBL5668586 0.67 ALDH1A1 (1.00) ALDH1A1ALOX15MYCNR4A1POLB
Phthalic Acid SCHEMBL10477086 0.67 ALDH1A1 (1.00) ALDH1A1ALOX15MYCNR4A1POLB
Phthalic Acid SCHEMBL146125 0.67 ALDH1A1 (1.00) ALDH1A1ALOX15MYCNR4A1POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290257-B1 HERBICIDAL METHOD COMPRISING THE USE OF DIFLUFENICAN MAY & BAKER LIMITED (GB) 1992-04-15 EP claimed
EP-0290257-A2 Herbicidal method comprising the use of diflufenican MAY & BAKER LIMITED (GB) 1988-11-09 EP claimed
EP-0520371-B1 Isoxazolines and isothiazolines, plant-protecting agent containing them and method of analysis for the identification of potential plant-protecting agents HOECHST SCHERING AGREVO GMBH (DE) 1997-04-09 EP disclosed
EP-0520371-A2 Isoxazolines and isothiazolines, plant-protecting agent containing them and method of analysis for the identification of potential plant-protecting agents Hoechst Schering AgrEvo GmbH (DE) 1992-12-30 EP disclosed
EP-0290257-B1 HERBICIDAL METHOD COMPRISING THE USE OF DIFLUFENICAN MAY & BAKER LIMITED (GB) 1992-04-15 EP disclosed
EP-0290257-A2 Herbicidal method comprising the use of diflufenican MAY & BAKER LIMITED (GB) 1988-11-09 EP disclosed
EP-0290257-A2 Herbicidal method comprising the use of diflufenican MAY & BAKER LIMITED (GB) 1988-11-09 EP disclosed