SCHEMBL8549567

SCHEMBL8549567

O=C(O)c1cc(C2SCCS2)cnc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ACMSD Q8TDX5 2/20 0.31
ASPH Q12797 3/20 0.31
KDM8 Q8N371 3/20 0.31
DHODH Q02127 2/20 0.30
GLA P06280 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8544532 0.74 KDM4E (0.40) KDM4EALDH1A1L3MBTL1CYP3A4MAPT
SCHEMBL10586417 0.74 KDM4E (0.54) KDM4EALDH1A1L3MBTL1CYP3A4MAPT
SCHEMBL8545598 0.72 KDM4E (0.38) KDM4EALDH1A1L3MBTL1CYP3A4MAPT
SCHEMBL8544867 0.72 KDM4E (0.38) KDM4EALDH1A1L3MBTL1CYP3A4MAPT
SCHEMBL19857468 0.70 GABRP (0.44) KDM4EALDH1A1L3MBTL1CYP3A4MAPT
SCHEMBL1171022 0.67 KDM4E (0.45) KDM4EALDH1A1L3MBTL1CYP3A4MAPT
SCHEMBL19857472 0.67 KDM4E (0.45) KDM4EALDH1A1L3MBTL1CYP3A4MAPT
SCHEMBL8542111 0.66 POLB (0.42) KDM4EALDH1A1L3MBTL1CYP3A4MAPT
SCHEMBL1819716 0.66 GABRP (0.44) KDM4EALDH1A1L3MBTL1CYP3A4MAPT
SCHEMBL617721 0.66 KDM4E (0.44) KDM4EALDH1A1L3MBTL1CYP3A4MAPT

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 8 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-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