SCHEMBL8346424

SCHEMBL8346424

CCOC(=O)c1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 6/20 0.55
▸ SIRT1 Q96EB6 5/20 0.55
▸ SIRT3 Q9NTG7 2/20 0.55
▸ PKN1 Q16512 1/20 0.51
▸ PKN2 Q16513 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HCRTR1 O43613 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL8347891 0.83 L3MBTL1 (0.47) SIRT2SIRT1SIRT3L3MBTL1NPSR1
SCHEMBL3863014 0.82 CSNK2A2 (0.49) NPSR1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL8346380 0.81 GAA (0.50) SIRT2SIRT1SIRT3L3MBTL1NPSR1
SCHEMBL11824061 0.80 SIRT2 (0.56) SIRT2SIRT1SIRT3PKN1PKN2
SCHEMBL13759435 0.79 NPSR1 (0.41) SIRT2SIRT1SIRT3L3MBTL1NPSR1
SCHEMBL17275543 0.78 PKN1 (0.65) SIRT2SIRT1SIRT3PKN1PKN2
SCHEMBL6169066 0.77 HCRTR1 (0.56) SIRT2SIRT1SIRT3PKN1PKN2
SCHEMBL27605913 0.76 CA2 (0.46) L3MBTL1NPSR1TP53ALDH1A1KDM4E
SCHEMBL18668553 0.76 SIRT2 (0.83) SIRT2SIRT1SIRT3PKN1PKN2
SCHEMBL27624772 0.76 F10 (0.41) TP53ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 — — US disclosed
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 — — US disclosed
EP-1558247-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-20 — — EP disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 — — WO disclosed
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