SCHEMBL9692230

SCHEMBL9692230

COC(=O)c1c[n+]([O-])ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.41
ATM Q13315 2/20 0.41
POLB P06746 1/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CFTR P13569 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA5A P35218 1/20 0.38
NR4A2 P43354 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 2/20 0.37
CA7 P43166 2/20 0.37

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
SCHEMBL31184835 0.86 MAPT (0.48) MAPTKDM4EATMPOLBABL1
SCHEMBL31184904 0.86 MAPT (0.48) MAPTKDM4EATMPOLBABL1
SCHEMBL1011953 0.85 MAPT (0.54) MAPTKDM4EATMPOLBABL1
SCHEMBL27006674 0.83 TSHR (0.50) KDM4ELMNATSHRALDH1A1HSD17B10
SCHEMBL4881052 0.79 MEN1 (0.46) MAPTKDM4EPOLBLMNATSHR
SCHEMBL28057867 0.79 LMNA (0.39) MAPTKDM4EATMPOLBABL1
SCHEMBL22717339 0.77 MAPT (0.47) MAPTKDM4EATMPOLBABL1
SCHEMBL11391739 0.77 MAPT (0.47) MAPTKDM4EATMPOLBABL1
SCHEMBL6380899 0.77 MAPT (0.43) MAPTKDM4EATMPOLBABL1
SCHEMBL8550600 0.76 ALDH1A1 (0.51) MAPTATMPOLBLMNATSHR

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-0277661-B1 IMIDAZOPYRROLOPYRIDINES AND CONDENSED DERIVATIVES THEREOF USEFUL IN THE PREPARATION OF HERBICIDAL COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1992-09-16 EP disclosed
EP-0133309-B1 HERBICIDES AND METHOD FOR THE PREPARATION THEREOF AMERICAN CYANAMID COMPANY (US) 1989-11-23 EP disclosed
EP-0133310-B1 IMIDAZOLIDINONES, AND IMIDAZOLIDINETHIONES, PROCESS FOR THE PREPARATION THEREOF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1988-09-14 EP disclosed
US-4701208-A Dihydroimidazopyrrolopyridine, quinoline, thieno- and furo[2,3-b]pyridine, dihydrothieno- and furo[2,3-b]-pyridine, thieno- and furo[3,2-b]pyridine and dihydrothieno- and furo[3,2-b]pyridine herbicides and method for preparation thereof AMERICAN CYANAMID COMPANY (US) 1987-10-20 US disclosed
US-4608079-A Imidazolidinones, and imidazolidinethiones, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1986-08-26 US disclosed
EP-0133310-A1 Imidazolidinones, and imidazolidinethiones, process for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 EP disclosed
EP-0133309-A1 Herbicides and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1985-02-20 EP disclosed