SCHEMBL12424906

SCHEMBL12424906

O=C1NC(c2cc(Cl)ccc2Cl)=C2C(=O)NC(c3cc(Cl)ccc3Cl)=C12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.52
CES1 P23141 3/20 0.47
TGM2 P21980 1/20 0.47
GSK3B P49841 2/20 0.47
PTPN11 Q06124 1/20 0.43
S100A4 P26447 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
STK10 O94804 1/20 0.41
SLK Q9H2G2 1/20 0.41
PKM P14618 1/20 0.41
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 1/20 0.41
RET P07949 1/20 0.41
PIM1 P11309 1/20 0.41
LTK P29376 1/20 0.41
GRK5 P34947 1/20 0.41
CSNK1A1 P48729 1/20 0.41

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
SCHEMBL12424908 0.85 PPOX (0.52) PPOXCES1TGM2GSK3BS100A4
SCHEMBL12424887 0.83 PPOX (0.50) PPOXCES1TGM2GSK3BS100A4
SCHEMBL12424882 0.78 PPOX (0.48) PPOXCES1TGM2GSK3BS100A4
SCHEMBL12424951 0.78 STK10 (0.47) ALDH1A1STK10SLKPARP1PARP10
SCHEMBL9340330 0.76 STK10 (0.57) CES1GSK3BSTK10SLK
SCHEMBL7750652 0.73 AHR (0.43) GSK3BALDH1A1MAPTPKMTP53
SCHEMBL12424919 0.73 MAPK1 (0.46) PPOXCES1GSK3BALDH1A1MAPT
SCHEMBL91966 0.71 PTGS2 (0.50) PPOXGSK3BALDH1A1MAPTNTRK3
SCHEMBL440944 0.71 TP53 (0.61) PPOXPTPN11S100A4ALDH1A1MAPT
SCHEMBL29364307 0.71 TP53 (0.61) PPOXPTPN11S100A4ALDH1A1MAPT

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