SCHEMBL12424939

SCHEMBL12424939

O=C1NC(c2ccc(F)c(Br)c2)=C2C(=O)NC(c3ccc(F)c(Br)c3)=C12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
ABCC9 O60706 14/20 0.39
KCNJ11 Q14654 14/20 0.39
ABCC8 Q09428 13/20 0.39
KCNJ8 Q15842 13/20 0.39
TDP2 O95551 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
DAPK3 O43293 1/20 0.33
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

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
SCHEMBL12424868 0.83 NOTUM (0.39) TDP2DAPK3NTRK1PIM1FLT3
SCHEMBL12424888 0.80 TDP2 (0.51) TDP2
SCHEMBL12425046 0.77 PRF1 (0.35) TDP2DAPK3NTRK1PIM1FLT3
SCHEMBL12424931 0.75 BCHE (0.39) ALDH1A1DAPK3NTRK1PIM1FLT3
SCHEMBL12424955 0.75 ALDH1A1 (0.44) ALDH1A1PIM1GSK3B
SCHEMBL4352639 0.73 PARP1 (0.42) PARP1ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL1557038 0.72 HAO1 (0.43) TDP2ALDH1A1MAPK1PIM1
SCHEMBL12424865 0.72 MAPT (0.41) ALDH1A1PIM1
SCHEMBL23519894 0.72 BCHE (0.34) ALDH1A1
SCHEMBL12424859 0.71 CES2 (0.33)

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