SCHEMBL13638859

SCHEMBL13638859

COC[C@H]1CCCN1Cc1ccc(N=O)c(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC1 Q13547 1/20 0.51
MAPK1 P28482 1/20 0.41
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
S1PR1 P21453 1/20 0.38
SPHK2 Q9NRA0 1/20 0.36
MBTPS1 Q14703 1/20 0.36
PNP P00491 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
FAAH O00519 2/20 0.36

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
SCHEMBL13270278 0.81 HDAC8 (0.49) HDAC8HDAC6HDAC1MAPK1VEGFA
SCHEMBL13638876 0.74 DRD4 (0.49)
SCHEMBL13479179 0.73 HDAC8 (0.64) HDAC8HDAC6HDAC1MAPK1VEGFA
SCHEMBL13638748 0.72 ADORA2A (0.35) HDAC6HDAC1ACHE
SCHEMBL13638863 0.72 HDAC8 (0.54) HDAC8HDAC6HDAC1MAPK1VEGFA
SCHEMBL3569375 0.72 HDAC8 (0.63) HDAC8HDAC6HDAC1MAPK1VEGFA
SCHEMBL13638971 0.72 SIGMAR1 (0.43) ALDH1A1
SCHEMBL12642706 0.72 HDAC8 (0.67) HDAC8HDAC6HDAC1MAPK1VEGFA
SCHEMBL1241170 0.72 HDAC8 (0.67) HDAC8HDAC6HDAC1MAPK1VEGFA
SCHEMBL3565573 0.72 HDAC8 (0.63) HDAC8HDAC6HDAC1MAPK1VEGFA

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed