SCHEMBL13634714

SCHEMBL13634714

CCCNC(=O)c1cc(CN2CCOCC2(C)C)ccc1NC(=O)c1csc(N2CCC3(CC2)CNC(=O)O3)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
HDAC1 Q13547 7/20 0.37
KCNH2 Q12809 2/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 1/20 0.35
TNK1 Q13470 1/20 0.35

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
SCHEMBL13638943 0.94 IRAK4 (0.39) IRAK4HDAC1KCNH2HDAC3HDAC4
SCHEMBL13634718 0.89 IRAK4 (0.47) IRAK4L3MBTL1
SCHEMBL13634799 0.86 IRAK4 (0.41) IRAK4L3MBTL1
SCHEMBL13634555 0.85 IRAK4 (0.38) IRAK4
SCHEMBL13634737 0.84 IRAK4 (0.40) IRAK4
SCHEMBL13634549 0.83 IRAK4 (0.39) IRAK4
SCHEMBL13634866 0.83 IRAK4 (0.39) IRAK4
SCHEMBL13634912 0.83 IRAK4 (0.38) IRAK4
SCHEMBL13638768 0.82 IRAK4 (0.46) IRAK4L3MBTL1
SCHEMBL13634556 0.82 IRAK4 (0.37) IRAK4

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