SCHEMBL11118871

SCHEMBL11118871

CCC(O)(c1ccccc1)c1ccc2nc(N)n(C(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 20/20 0.43

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
SCHEMBL11074906 0.82 PI4KB (0.56)
SCHEMBL11148214 0.78 MAPK14 (0.45) ACSS2
SCHEMBL11263802 0.77 ACSS2 (0.37) ACSS2
SCHEMBL11013916 0.77 BACE1 (0.36) ACSS2
SCHEMBL11177979 0.75 ACSS2 (0.38) ACSS2
SCHEMBL11150851 0.71 PI4KB (0.52)
SCHEMBL21179397 0.71 SCN4A (0.54)
SCHEMBL11152156 0.71 PI4KB (0.53)
SCHEMBL11146745 0.71 PI4KB (0.53)
SCHEMBL11008032 0.70 PI4KB (0.50)

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-0111993-A2 Improvements in or relating to benzimidazoles ELI LILLY AND COMPANY (US) 1984-06-27 EP claimed