SCHEMBL13759435

SCHEMBL13759435

CCCC(C(=O)OCC)c1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ F10 P00742 14/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DGAT1 O75907 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
SCHEMBL3871590 0.89 F10 (0.38) NPSR1F10KDM4EALDH1A1HPGD
SCHEMBL8349167 0.88 F10 (0.38) NPSR1L3MBTL1F10KDM4EALDH1A1
SCHEMBL8346424 0.79 SIRT2 (0.55) NPSR1L3MBTL1SIRT2SIRT1SIRT3
SCHEMBL8347891 0.78 L3MBTL1 (0.47) NPSR1L3MBTL1SIRT2SIRT1SIRT3
SCHEMBL3868438 0.76 F10 (0.40) NPSR1F10KDM4EALDH1A1HPGD
SCHEMBL8346380 0.76 GAA (0.50) NPSR1L3MBTL1SIRT2SIRT1SIRT3
SCHEMBL3864899 0.74 F10 (0.63) F10
SCHEMBL3868441 0.73 F10 (0.40) NPSR1F10KDM4EALDH1A1HPGD
SCHEMBL27605913 0.73 CA2 (0.46) NPSR1L3MBTL1F10KDM4EALDH1A1
SCHEMBL3862457 0.73 F10 (0.53) F10

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
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
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