SCHEMBL8346380

SCHEMBL8346380

CCOC(=O)COc1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ PDE3B Q13370 2/20 0.48
▸ PDE3A Q14432 2/20 0.48
▸ P2RY12 Q9H244 2/20 0.48
▸ F10 P00742 3/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 5/20 0.39
▸ TP53 P04637 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL8346713 0.86 F10 (0.47) GAAKDM4EPDE3BPDE3AP2RY12
SCHEMBL8347891 0.83 L3MBTL1 (0.47) HSD17B10F10NPSR1L3MBTL1SMN1; SMN2
SCHEMBL27605913 0.81 CA2 (0.46) GAAKDM4EF10NPSR1L3MBTL1
SCHEMBL8346424 0.81 SIRT2 (0.55) KDM4EHSD17B10NPSR1L3MBTL1PDE10A
SCHEMBL27624772 0.79 F10 (0.41) GAAKDM4EHSD17B10PDE3BPDE3A
SCHEMBL4687144 0.78 F10 (0.40) GAAKDM4EHSD17B10F10NPSR1
SCHEMBL13759435 0.76 NPSR1 (0.41) KDM4EHSD17B10F10NPSR1L3MBTL1
SCHEMBL27625018 0.74 F10 (0.41) KDM4EHSD17B10F10NPSR1L3MBTL1
SCHEMBL14816206 0.72 PDE3B (0.57) GAAKDM4EHSD17B10PDE3BPDE3A
SCHEMBL3863014 0.72 CSNK2A2 (0.49) GAAKDM4EF10NPSR1PDE10A

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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