SCHEMBL3714534

SCHEMBL3714534

O=C(NO)c1cc(-c2ccc(C#Cc3cccnc3)cc2)nc(N2CCOC(CO)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.39
▸ RAF1 P04049 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ EPAS1 Q99814 1/20 0.37
▸ AKT1 P31749 3/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ SYK P43405 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ PIK3CA P42336 4/20 0.36
▸ PIK3CB P42338 4/20 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
SCHEMBL3714226 0.92 LRRK2 (0.37) RAF1BRAFHDAC6HIF1AEPAS1
SCHEMBL3712242 0.90 CHEK1 (0.38) CHEK1RAF1BRAFHIF1AEPAS1
SCHEMBL13188771 0.86 PIK3CA (0.48) HDAC6AKT1HDAC1HDAC3HDAC2
SCHEMBL3715649 0.84 HIF1A (0.38) HDAC6HIF1AEPAS1HDAC1HDAC3
SCHEMBL13188362 0.84 HDAC6 (0.44) HDAC6HIF1AEPAS1HDAC1PIK3CA
SCHEMBL3719077 0.83 PRKD1 (0.42) HIF1AEPAS1
SCHEMBL13187703 0.83 PRKD1 (0.44) HIF1AEPAS1HDAC1HDAC3HDAC2
SCHEMBL3711558 0.83 CYP3A4 (0.47) HDAC6HIF1AEPAS1AKT1HDAC1
SCHEMBL3713490 0.83 HDAC6 (0.45) HDAC6HIF1AEPAS1HDAC1PIK3CA
SCHEMBL3709554 0.82 LRRK2 (0.37) RAF1BRAFHIF1AEPAS1SYK

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
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