SCHEMBL13187751

SCHEMBL13187751

CN1CCN(CCOc2nc(C(=O)NOC3CCOCC3)cc(-c3ccc(C#Cc4ccc(CN5CCOCC5)cc4)cc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.42
ALK Q9UM73 5/20 0.40
ACACB O00763 1/20 0.40
PIK3CA P42336 1/20 0.39
SYK P43405 1/20 0.39
BCHE P06276 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 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
SCHEMBL3716625 0.91 TLR7 (0.41) SYK
SCHEMBL13188373 0.89 HDAC1 (0.46) MAPK14ALKACACB
SCHEMBL13188620 0.86 KMO (0.47) MAPK14ALKACACBBCHEMAOA
SCHEMBL3716614 0.85 HDAC1 (0.49) ACACB
SCHEMBL3710611 0.83 ACACB (0.47) ACACBPIK3CASYKBCHEMAOA
SCHEMBL3709560 0.82 KMO (0.50) ACACBBCHEMAOAACHEMAOB
SCHEMBL3713800 0.79 HDAC1 (0.44)
SCHEMBL3715177 0.78 TLR7 (0.44) PIK3CA
SCHEMBL3713860 0.77 MAPK14 (0.41) MAPK14ALKACACB
SCHEMBL13187744 0.77 HDAC1 (0.51) MAPK14ALK

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed