SCHEMBL12424802

SCHEMBL12424802

[C-]#[N+]c1cccc(C2=C3C(=O)NC(c4ccc(-c5ccccc5)cc4)=C3C(=O)N2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
TDP2 O95551 1/20 0.34
GSK3B P49841 6/20 0.33
NAT1 P18440 1/20 0.32
TYRO3 Q06418 1/20 0.32
NTRK2 Q16620 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PIM1 P11309 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL12425032 0.97 PTGS2 (0.37) PTGS2MAOAMAOBGSK3B
SCHEMBL12424875 0.84 GSK3B (0.39) TDP2GSK3B
SCHEMBL12424874 0.82 PTGS2 (0.31) PTGS2
SCHEMBL7754290 0.80 PTGS2 (0.48) PTGS2MAOAMAOBSIRT2SIRT1
SCHEMBL91967 0.80 PTGS2 (0.48) PTGS2MAOAMAOBSIRT2SIRT1
SCHEMBL278635 0.77 GSK3B (0.48) PTGS2MAOAMAOBGSK3B
SCHEMBL11996149 0.75 MAOA (0.44) MAOASLC6A2SLC6A4SLC6A3
SCHEMBL12509754 0.73 CHEK1 (0.52) CLK4
SCHEMBL12425028 0.73 NPC1 (0.43) PTGS2GSK3BCLK4DYRK1B
SCHEMBL10607586 0.73 GSK3B (0.54) TDP2GSK3B

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
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed