SCHEMBL4369090

SCHEMBL4369090

N#Cc1cccc2c(C=CC(=O)O)c[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
NFKB1 P19838 2/20 0.43
TDO2 P48775 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DYRK1A Q13627 5/20 0.42
GSK3B P49841 2/20 0.40
NFATC1 O95644 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4369086 1.00 PARP1 (0.46) PARP1MEN1ALDH1A1MAPTHPGD
SCHEMBL1420391 0.82 LMNA (0.37) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL1420388 0.82 LMNA (0.37) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL6046306 0.80 NFKB1 (0.56) PARP1MEN1ALDH1A1MAPTHPGD
SCHEMBL1420660 0.80 TRIM24 (0.58) KMT2ADYRK1AGSK3BNFATC1SLC6A4
SCHEMBL6046307 0.80 NFKB1 (0.56) PARP1MEN1ALDH1A1MAPTHPGD
SCHEMBL2541206 0.78 MAPT (0.48) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL3417896 0.78 TDO2 (0.50) PARP1MEN1ALDH1A1MAPTHPGD
SCHEMBL2541208 0.78 MAPT (0.48) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL3417898 0.78 TDO2 (0.50) PARP1MEN1ALDH1A1MAPTHPGD

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
US-8217028-B2 1,2,4-oxadiazole indole compounds GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 WO disclosed