SCHEMBL8082831

SCHEMBL8082831

O=C1COC(c2cccs2)=N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.43
RPS6KB2 Q9UBS0 2/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
F2 P00734 1/20 0.36
PBRM1 Q86U86 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
LTK P29376 1/20 0.35
CDK5 Q00535 1/20 0.35
MST1R Q04912 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
GALR1 P47211 1/20 0.35

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
SCHEMBL13700959 0.75 MAPT (0.43) KDM4EMAPTRPS6KB2ALDH1A1HPGD
SCHEMBL28683146 0.71 RPS6KB2 (0.38) KDM4EMAPTRPS6KB2ALDH1A1HPGD
SCHEMBL84708 0.69 KMT2A (0.44) KDM4EMAPTALDH1A1HPGDKMT2A
SCHEMBL24534635 0.68 KDM4E (0.55) KDM4EMAPTRPS6KB2ALDH1A1HPGD
SCHEMBL6365734 0.67 MAOB (0.43) KDM4EMAPTALDH1A1HPGDKMT2A
SCHEMBL29839941 0.67 MAPT (0.45) KDM4EMAPTRPS6KB2ALDH1A1HPGD
SCHEMBL11292201 0.67 MAPT (0.45) KDM4EMAPTRPS6KB2ALDH1A1HPGD
SCHEMBL22246046 0.66 KMT2A (0.44) KDM4EMAPTRPS6KB2ALDH1A1HPGD
SCHEMBL4731535 0.66 ALDH1A1 (0.37) KDM4EMAPTRPS6KB2ALDH1A1HPGD
SCHEMBL31553378 0.65 PDE3B (0.44) ALDH1A1SMN1; SMN2PBRM1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044214-A1 METHOD FOR BINDING ALBUMIN AND MEANS TO BE USED IN THE METHOD Amersham Pharmacia Biotech AB (SE) 2000-10-18 EP disclosed
US-5994507-A CONTACTING AQUEOUS LIQUID CONTAINING ALBUMIN WITH A COMPOUND CONTAINING THE SCAFFOLD--C(=O)-NH-C(=C-)-C(=O)- AND HAVING BEEN PRE-CHECKED TO BIND TO THE ALBUMIN; FOR REMOVAL OF ALBUMIN FROM A SOLUTION OR FOR PURIFICATION OF ALBUMIN AMERSHAM PHARMACIA BIOTECH AB (SE) 1999-11-30 US disclosed
WO-1999033860-A1 METHOD FOR BINDING ALBUMIN AND MEANS TO BE USED IN THE METHOD AMERSHAM PHARMACIA BIOTECH AB (SE) 1999-07-08 WO disclosed