SCHEMBL3717482

SCHEMBL3717482

O=C(NO)c1cccc(-c2ccc(C#Cc3cccnc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.48
FFAR1 O14842 1/20 0.44
HDAC6 Q9UBN7 3/20 0.43
SCN9A Q15858 4/20 0.42
HDAC1 Q13547 2/20 0.41
KAT6A Q92794 1/20 0.40
GRM5 P41594 2/20 0.40
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRNB2 P17787 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA4 P43681 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 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
SCHEMBL3713933 0.84 SCN9A (0.44) IRAK4FFAR1SCN9AGRM5CYP2A6
SCHEMBL3715057 0.82 GRM5 (0.56) FFAR1HDAC6HDAC1GRM5CYP2A6
SCHEMBL3714118 0.81 HDAC6 (0.43) FFAR1HDAC6HDAC1GRM5CYP2A6
SCHEMBL3714679 0.81 KMO (0.51) FFAR1HDAC6HDAC1GRM5CYP2A6
SCHEMBL3715704 0.80 FFAR1 (0.40) FFAR1HDAC6HDAC1GRM5CYP2A6
SCHEMBL3716655 0.79 FFAR1 (0.45) FFAR1HDAC6HDAC1GRM5CYP2A6
SCHEMBL3716179 0.78 CAMK2D (0.47) FFAR1HDAC6HDAC1CYP2C9
SCHEMBL13188328 0.78 HDAC6 (0.51) FFAR1HDAC6HDAC1GRM5HIF1A
SCHEMBL400670 0.77 HDAC1 (0.60) FFAR1HDAC6HDAC1HIF1AEPAS1
SCHEMBL3714897 0.77 HDAC1 (0.52) FFAR1HDAC6HDAC1KAT6AHDAC3

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