SCHEMBL12424931

SCHEMBL12424931

Cc1cc(C2=C3C(=O)NC(c4ccc(Br)c(C)c4)=C3C(=O)N2)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.39
CES1 P23141 1/20 0.39
TYMP P19971 1/20 0.38
DAPK3 O43293 2/20 0.36
PTGS2 P35354 4/20 0.36
ALKBH5 Q6P6C2 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH3A1 P30838 1/20 0.32

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
SCHEMBL12509904 0.91 TYMP (0.34) BCHECES1TYMPDAPK3PTGS2
SCHEMBL22625801 0.79 BCHE (0.34) BCHECES1ALDH1A1TSHRALDH2
SCHEMBL23519815 0.79 PDE3B (0.43) CES1PTGS2MAPTGSK3B
SCHEMBL22625803 0.76 ALDH1A1 (0.36) DAPK3PTGS2MAPTNTRK1PIM1
SCHEMBL23519894 0.76 BCHE (0.34) BCHECES1PTGS2ALDH1A1TSHR
SCHEMBL12424885 0.75 GSK3A (0.42) CES1PTGS2MAPTGSK3BALDH1A1
SCHEMBL12424939 0.75 PARP1 (0.41) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL12424753 0.75 DAPK3 (0.30) DAPK3PTGS2NTRK1PIM1FLT3
SCHEMBL12509875 0.75 GSK3A (0.40) CES1PTGS2MAPTGSK3BALDH1A1
SCHEMBL12424955 0.75 ALDH1A1 (0.44) PTGS2TP53MAPTPIM1GSK3B

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