SCHEMBL8548159

SCHEMBL8548159

COC(=O)c1cc(C=O)cnc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
PTGS2 P35354 1/20 0.39
ATM Q13315 1/20 0.38
TSHR P16473 3/20 0.37
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL2484382 0.85 LMNA (0.45) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL22889973 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL26101402 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL31460215 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL15635234 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL5847766 0.81 MAPK1 (0.49) ALDH1A1MAPTHPGDNPSR1ATM
SCHEMBL7576273 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL31436355 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL29833413 0.77 ATM (0.49) ALDH1A1SMN1; SMN2MAPTNPSR1ATM
SCHEMBL2487068 0.77 ATM (0.49) ALDH1A1SMN1; SMN2MAPTNPSR1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434965-B1 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID CO (US) 1998-05-20 EP disclosed
US-5405827-A 5-heterocyclic 2-(2-imidazolin-2-yl)pyridines, useful as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1995-04-11 US disclosed
US-5344935-A Intermediates for herbicides AMERICAN CYANAMID COMPANY (US) 1994-09-06 US disclosed
US-5283230-A Pre- and post-emergence herbicides AMERICAN CYANAMID COMPANY (US) 1994-02-01 US disclosed
US-5239070-A Herbicide intermediates AMERICAN CYANAMID COMPANY (US) 1993-08-24 US disclosed
US-5225564-A Acetalization, amination or sulfiding in a solvent AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
US-5039333-A 5-heterocyclic 2-(2-imidazolin-2-yl)pyridines, useful as herbicidal agents AMERICAN CYANAMID COMPANY 1991-08-13 US disclosed
EP-0434965-A2 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed
US-5026859-A Intermediates for herbicides AMERICAN CYANAMID COMPANY (US) 1991-06-25 US disclosed