SCHEMBL3715055

SCHEMBL3715055

CC(C)(C)Nc1ncc(C(=O)NO)cc1-c1ccc(C#Cc2ccc(CN3CCOCC3)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
MAPK14 Q16539 2/20 0.40
ABL1 P00519 3/20 0.40
RAF1 P04049 2/20 0.38
LYN P07948 2/20 0.38
MAPK9 P45984 2/20 0.38
EGFR P00533 1/20 0.38
BRAF P15056 1/20 0.38
EPHA2 P29317 1/20 0.38
EPHA3 P29320 1/20 0.38
AKT1 P31749 1/20 0.38
SRC P12931 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL3718827 0.91 HIF1A (0.42) HIF1AEPAS1HRH3MAPK14HDAC3
SCHEMBL3711870 0.88 HRH3 (0.44) HIF1AEPAS1HRH3
SCHEMBL3722778 0.85 HIF1A (0.42) HIF1AEPAS1HRH3HDAC3HDAC1
SCHEMBL3713929 0.83 HIF1A (0.41) HIF1AEPAS1HRH3MAPK14HDAC3
SCHEMBL13187713 0.82 HDAC1 (0.44) HIF1AEPAS1HRH3HDAC3HDAC1
SCHEMBL13188444 0.81 HIF1A (0.46) HIF1AEPAS1HRH3MAPK14ABL1
SCHEMBL13187709 0.79 HDAC1 (0.53) HIF1AEPAS1HRH3HDAC3HDAC1
SCHEMBL3715178 0.78 KMT2A (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3709590 0.76 HIF1A (0.43) HIF1AEPAS1HRH3MAPK14ABL1
SCHEMBL13187785 0.74 HIF1A (0.45) HIF1AEPAS1HRH3MAPK14ABL1

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