SCHEMBL3836804

SCHEMBL3836804

Fc1ccccc1OCc1c[nH]c(-c2nc(COc3ccccc3Cl)c[nH]2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
TP53 P04637 3/20 0.39
HTT P42858 1/20 0.39
DAO P14920 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
HPGD P15428 2/20 0.36
MRGPRX4 Q96LA9 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
SCHEMBL8118746 0.82 HDAC1 (0.46) FFAR1HDAC1HDAC6HDAC5HDAC8
SCHEMBL3839020 0.82 FFAR1 (0.40) FFAR1TP53KDM4ETDP1MRGPRX4
SCHEMBL3836799 0.80 TP53 (0.40) FFAR1TP53HTTDAOL3MBTL1
SCHEMBL3839877 0.72 FFAR1 (0.34) FFAR1TP53HTTL3MBTL1KDM4E
SCHEMBL224611 0.69 TP53 (0.45) FFAR1HDAC6TP53HTTL3MBTL1
SCHEMBL224876 0.69 MEN1 (0.44) FFAR1HDAC1HDAC6HDAC5HDAC8
SCHEMBL17253574 0.68 RAB9A (0.52) HTTKDM4ETDP1RAB9ASMN1; SMN2
SCHEMBL3839731 0.68 FFAR1 (0.47) FFAR1TP53KDM4ENPC1RAB9A
SCHEMBL4342702 0.66 SYK (0.67) FFAR1TP53HTTKDM4ENPC1
SCHEMBL4569960 0.66 SYK (0.59) FFAR1HDAC1HDAC6HDAC5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed