SCHEMBL6450267

SCHEMBL6450267

N#Cc1ccc(C(N)=O)c(OC2CCNCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.61
MKNK1 Q9BUB5 4/20 0.56
MKNK2 Q9HBH9 4/20 0.56
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 1/20 0.41
UTS2R Q9UKP6 3/20 0.39
TOP2A P11388 3/20 0.39
HSP90AB1 P08238 2/20 0.39
PARP1 P09874 1/20 0.39
CHEK2 O96017 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL6451281 0.81 MKNK1 (0.58) MAP3K5MKNK1MKNK2SLC6A4TOP2A
SCHEMBL6456150 0.81 MKNK1 (0.58) MAP3K5MKNK1MKNK2SLC6A2SLC6A3
SCHEMBL6446339 0.81 MKNK1 (0.58) MAP3K5MKNK1MKNK2SLC6A4
SCHEMBL23287020 0.80 MAP3K5 (0.42) MAP3K5
SCHEMBL29825320 0.80 MAP3K5 (0.42) MAP3K5
SCHEMBL201799 0.79 PDE4B (0.52) MAP3K5SLC6A2SLC6A4SLC6A3
SCHEMBL4233748 0.79 MKNK1 (0.58) MAP3K5MKNK1MKNK2SLC6A2SLC6A3
SCHEMBL6447930 0.78 MKNK1 (0.56) MAP3K5MKNK1MKNK2CHEK2
SCHEMBL16961586 0.78 CXCR5 (0.43) MAP3K5MKNK1MKNK2
Hydrochloric Acid SCHEMBL202832 0.78 PDE4B (0.51) MAP3K5SLC6A2SLC6A4SLC6A3

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
US-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed