SCHEMBL3722778

SCHEMBL3722778

CN(C)c1ncc(C(=O)NO)cc1-c1ccc(C#Cc2ccc(CN3CCOCC3)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAP4K4 O95819 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
TNIK Q9UKE5 1/20 0.38
CYP3A4 P08684 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EZH2 Q15910 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
SCHEMBL3713929 0.92 HIF1A (0.41) HIF1AEPAS1HRH3HDAC3HDAC1
SCHEMBL13187785 0.90 HIF1A (0.45) HIF1AEPAS1HRH3HDAC3HDAC1
SCHEMBL3718827 0.87 HIF1A (0.42) HIF1AEPAS1HRH3HDAC3HDAC1
SCHEMBL3715055 0.85 HIF1A (0.43) HIF1AEPAS1HRH3HDAC3HDAC1
SCHEMBL3711870 0.85 HRH3 (0.44) HIF1AEPAS1HRH3
SCHEMBL13187713 0.83 HDAC1 (0.44) HIF1AEPAS1HRH3HDAC3HDAC1
SCHEMBL13187709 0.80 HDAC1 (0.53) HIF1AEPAS1HRH3HDAC3HDAC1
SCHEMBL3709590 0.77 HIF1A (0.43) HIF1AEPAS1HRH3
SCHEMBL13188444 0.77 HIF1A (0.46) HIF1AEPAS1HRH3HDAC3HDAC1
SCHEMBL13188518 0.74 ABL1 (0.41)

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