SCHEMBL8599835

SCHEMBL8599835

O=C1NC(=O)c2c(OCc3ccccc3)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
TNKS2 Q9H2K2 3/20 0.50
CASP3 P42574 1/20 0.50
STK10 O94804 2/20 0.49
SLK Q9H2G2 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TTR P02766 1/20 0.46
BLM P54132 1/20 0.46
PLA2G1B P04054 1/20 0.46
POLB P06746 1/20 0.46
ATG4B Q9Y4P1 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
SCHEMBL8597854 0.88 EGFR (0.47) MAOAMAOBSTK10SLKMAPT
SCHEMBL9483883 0.84 CASP3 (0.54) MAOAMAOBCASP3STK10SLK
SCHEMBL8598409 0.83 PSEN1 (0.43) MAOAMAOBSTK10SLK
SCHEMBL16072720 0.80 KCNA3 (0.58) MAOBTNKS2MAPTMAPK1TDP1
SCHEMBL9084451 0.80 FABP4 (0.48) MAPTTDP1L3MBTL1MEN1ALDH1A1
SCHEMBL7399139 0.79 DDB1 (0.46) CASP3MAPTTDP1MEN1ALDH1A1
SCHEMBL9173435 0.79 KCNA3 (0.56) MAOBTNKS2MAPTMAPK1TDP1
SCHEMBL2701829 0.79 GSK3B (0.42) CASP3STK10SLKMAPTTDP1
SCHEMBL8133117 0.78 DDB1 (0.49) CASP3TDP1L3MBTL1MEN1ALDH1A1
SCHEMBL9754264 0.78 KCNA3 (0.63) MAOBTNKS2MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217412-A1 WASTE MITIGATION METHODS AND MATERIALS Finite Research Ltd (GB) 2023-08-02 EP disclosed
WO-2022023916-A1 WASTE MITIGATION METHODS AND MATERIALS LI, Zhenzhen (CN) 2022-02-03 WO disclosed
CN-106946770-B High-activity imido phenylacetate compound and preparation method and application thereof 中国农业大学 2020-05-05 CN disclosed
CN-106632132-B High activity N- oxyl anabasine analog and its preparation method and application 中国农业大学 2019-03-26 CN disclosed
US-5726314-A ACETYLCHOLINESTERASE INHIBITORS AS NERVE AGENT ANTIDOTES GEORGIA TECH RESEARCH CORP. (US) 1998-03-10 US disclosed
US-5714615-A ACETYLCHOLINESTERASE ENZYME INHIBITOR, STIMULATE NICOTINIC RECEPTORS IN CENTRAL NERVOUS SYSTEM GEORGIA TECH RESEARCH CORPORATION (US) 1998-02-03 US disclosed
WO-1995021822-A1 PYRIDINIUM COMPOUNDS GEORGIA TECH RESEARCH CORPORATION (US) 1995-08-17 WO disclosed
EP-0643697-A4 QUATERNARY PYRIDINIUM COMPOUNDS. 1995-04-12 EP disclosed
EP-0643697-A1 QUATERNARY PYRIDINIUM COMPOUNDS GEORGIA TECH RESEARCH CORPORATION (US) 1995-03-22 EP disclosed
US-5290942-A Acetylcholinesterase inhibitors GEORGIA TECH RESEARCH CORPORATION (US) 1994-03-01 US disclosed
WO-1993024459-A1 QUATERNARY PYRIDINIUM COMPOUNDS GEORGIA TECH RESEARCH CORPORATION (US) 1993-12-09 WO disclosed
CN-1073675-A Herbicidal cyclohexanes DUNLENA PTY LTD (AU) 1993-06-30 CN disclosed
US-5206371-A Acetylcholinesterase inhibitor GEORGIA TECH RESEARCH CORPORATION (US) 1993-04-27 US disclosed
US-5180831-A Acetylcholinesterase Inhibitors GEORGIA TECH RESEARCH CORPORATION (US) 1993-01-19 US disclosed
US-4144072-A CONTAINING A PHTHALAZINONE AND A PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1979-03-13 US disclosed