SCHEMBL8546502

SCHEMBL8546502

O=C(O)c1ccc(C2OCCO2)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.37
MGAM O43451 1/20 0.36
GNE Q9Y223 1/20 0.35
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MEN1 O00255 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL14151940 0.79 KDM4E (0.45) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL15544837 0.74 NPC1 (0.44) TSHRNPC1RAB9A
SCHEMBL31153190 0.74 NPC1 (0.44) TSHRNPC1RAB9A
SCHEMBL3632915 0.74 KDM4E (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL27882830 0.72 KDM4E (0.48) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL8543606 0.71 KEAP1 (0.40) KDM4ETSHRTDP1NPC1RAB9A
SCHEMBL31481077 0.69 KEAP1 (0.45) KDM4ETSHRNPC1RAB9AKMT2A
SCHEMBL8220478 0.69 SMN1; SMN2 (0.48) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2595331 0.67 KEAP1 (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL30012630 0.67 KDM4E (0.46) KDM4EALOX15TSHRACMSDTDP1

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