SCHEMBL12424972

SCHEMBL12424972

O=C1NC(c2cc(I)ccc2F)=C2C(=O)NC(c3cc(I)ccc3F)=C12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.46
CES1 P23141 1/20 0.46
TDP2 O95551 3/20 0.42
CHRM1 P11229 1/20 0.35
GSK3B P49841 3/20 0.33
NTRK1 P04629 2/20 0.33
PIM1 P11309 2/20 0.33
LRRK2 Q5S007 1/20 0.33
GRM5 P41594 1/20 0.33
DAPK3 O43293 1/20 0.33
FLT3 P36888 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAPT P10636 5/20 0.33
APP P05067 4/20 0.33
RAF1 P04049 3/20 0.33
MAP1LC3B Q9GZQ8 2/20 0.33
EGFR P00533 1/20 0.33
ARAF P10398 1/20 0.33
BRAF P15056 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
SCHEMBL12424872 0.83 CA9 (0.40) TGM2CES1TDP2LRRK2GRM5
SCHEMBL12424887 0.81 PPOX (0.50) TGM2CES1TDP2CHRM1GSK3B
SCHEMBL12424869 0.80 NISCH (0.41) GSK3BNTRK1PIM1LRRK2DAPK3
SCHEMBL12424894 0.76 GRM5 (0.37) TGM2GSK3BGRM5MAPTEGFR
SCHEMBL12424878 0.76 ALDH1A1 (0.44) PIM1LRRK2MAPTAPPPIM2
SCHEMBL12424897 0.75 CYP3A4 (0.54) CES1TDP2MAPTEGFRMEN1
SCHEMBL12424862 0.75 GSK3B (0.44) GSK3BLRRK2MAPTMEN1KMT2A
SCHEMBL23954121 0.74 ROS1 (0.43) GSK3BLRRK2MAPTMEN1LMNA
SCHEMBL12424892 0.73 GRM5 (0.35) CES1TDP2GSK3BNTRK1PIM1
SCHEMBL12424871 0.72 TDP2 (0.46) TGM2TDP2GRM5FLT3MAPT

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 4 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-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
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed