SCHEMBL11018196

SCHEMBL11018196

CCCN(CCC)S(=O)(=O)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 17/20 0.51
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46

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
SCHEMBL11018192 0.93 MAPT (0.48) CHEK2MAPTL3MBTL1PDE4APDE4B
SCHEMBL11019284 0.88 CHEK2 (0.55) CHEK2
SCHEMBL11020406 0.85 CHEK2 (0.56) CHEK2
SCHEMBL11019646 0.84 MAPT (0.47) CHEK2MAPTL3MBTL1PDE4APDE4B
SCHEMBL11021561 0.83 L3MBTL1 (0.47) CHEK2MAPTL3MBTL1PDE4APDE4B
SCHEMBL11019277 0.80 CHEK2 (0.46) CHEK2MAPT
SCHEMBL11017899 0.79 CHEK2 (0.50) CHEK2MAPTL3MBTL1PDE4APDE4B
SCHEMBL11018668 0.78 KDM4E (0.48) CHEK2MAPTL3MBTL1
SCHEMBL11016890 0.77 CHEK2 (0.63) CHEK2
SCHEMBL11021552 0.77 L3MBTL1 (0.47) MAPTL3MBTL1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
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