SCHEMBL6169897

SCHEMBL6169897

C=CCN1C(=O)C(c2ccc(OCc3ccccc3)cc2)NC1=S

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.55
SIRT5 Q9NXA8 4/20 0.55
SIRT2 Q8IXJ6 3/20 0.44
TNKS2 Q9H2K2 2/20 0.44
SIRT3 Q9NTG7 1/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
MAOB P27338 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
MMP13 P45452 2/20 0.42
MMP3 P08254 1/20 0.42
SETDB1 Q15047 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL6169513 0.85 L3MBTL1 (0.48) SIRT1SIRT5MAPTL3MBTL1MEN1
SCHEMBL5955353 0.73 SIRT1 (0.52) SIRT1SIRT5SIRT2SIRT3MAPT
SCHEMBL5954486 0.72 SIRT1 (0.49) SIRT1SIRT5SIRT2SIRT3MAPT
SCHEMBL1597896 0.72 GAA (0.70) MAPTL3MBTL1MEN1KMT2A
SCHEMBL6167361 0.70 GAA (0.58) MAPTMEN1KMT2A
SCHEMBL2293159 0.68 GRM2 (0.43) SIRT1SIRT5TP53MAOBMEN1
SCHEMBL6168233 0.68 NPC1 (0.48) SIRT1SIRT5SIRT2MAPTL3MBTL1
SCHEMBL2293787 0.68 GRM2 (0.43) SIRT1SIRT5TP53MAOBMEN1
SCHEMBL8769357 0.68 ALDH1A1 (0.63) TNKS2MAPTTP53MAOBMMP13
SCHEMBL19420143 0.68 GAA (0.62) SIRT1SIRT5MAPTL3MBTL1MEN1

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-1546111-A2 2-THIOHYDANTOINE DERIVATIVE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DIABETES LABORATOIRES FOURNIER S.A. (FR) 2005-06-29 EP disclosed
WO-2004031160-A2 2-THIOHYDANTOINE DERIVATIVE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DIABETES LABORATOIRES FOURNIER S.A. (FR) 2004-04-15 WO disclosed