SCHEMBL27612832

SCHEMBL27612832

O/C=C/Cc1ccc(-c2ncccn2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.37
▸ VCP P55072 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ KAT6A Q92794 3/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ BDKRB1 P46663 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ CLK4 Q9HAZ1 3/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIP5K1C O60331 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ PTGER1 P34995 1/20 0.30

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
SCHEMBL6852510 0.81 ADRB2 (0.36) AOC3VCPADRB2KAT6AHDAC1
SCHEMBL27612811 0.78 AOC3 (0.36) AOC3VCPADRB2KAT6AHDAC1
SCHEMBL24791637 0.76 ADRB2 (0.52) AOC3VCPADRB2KAT6AHDAC1
SCHEMBL30083519 0.76 ADRB2 (0.52) AOC3VCPADRB2KAT6AHDAC1
SCHEMBL2556806 0.76 ADRB2 (0.39) AOC3VCPADRB2KAT6AHDAC1
SCHEMBL27613062 0.74 ADRB2 (0.53) AOC3ADRB2CLK4HDAC4PIK3CD
SCHEMBL28751296 0.73 CLK4 (0.41) ADRB2KAT6ACLK4DYRK1A
SCHEMBL24791640 0.72 BDKRB1 (0.40) VCPADRB2KAT6ABDKRB1CASP6
SCHEMBL6642380 0.70 NOTUM (0.47) VCPADRB2KAT6ACLK4DYRK1A
SCHEMBL6850682 0.70 PIK3CD (0.37) AOC3VCPADRB2KAT6ACLK4

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
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 — — CN disclosed
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