SCHEMBL13638863

SCHEMBL13638863

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC1 Q13547 1/20 0.54
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
VEGFA P15692 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
S1PR1 P21453 1/20 0.45
PNP P00491 1/20 0.42
CD274 Q9NZQ7 2/20 0.41
PDCD1 Q15116 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
FAAH O00519 4/20 0.39
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39

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
SCHEMBL3565573 0.82 HDAC8 (0.63) HDAC8HDAC6HDAC1CRHBPCRHR2
SCHEMBL3569375 0.82 HDAC8 (0.63) HDAC8HDAC6HDAC1CRHBPCRHR2
SCHEMBL13163933 0.81 HDAC8 (0.59) HDAC8HDAC6HDAC1CRHBPCRHR2
SCHEMBL13479179 0.81 HDAC8 (0.64) HDAC8HDAC6HDAC1CRHBPCRHR2
SCHEMBL20873715 0.81 HDAC8 (0.61) HDAC8HDAC6HDAC1CRHBPCRHR2
SCHEMBL20873716 0.81 HDAC8 (0.61) HDAC8HDAC6HDAC1CRHBPCRHR2
SCHEMBL13163127 0.80 HDAC8 (0.57) HDAC8HDAC6HDAC1CRHBPCRHR2
SCHEMBL1241999 0.80 HDAC8 (0.67) HDAC8HDAC6HDAC1CRHBPCRHR2
SCHEMBL1241170 0.80 HDAC8 (0.67) HDAC8HDAC6HDAC1CRHBPCRHR2
SCHEMBL1241175 0.80 HDAC8 (0.67) HDAC8HDAC6HDAC1CRHBPCRHR2

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