SCHEMBL12425015

SCHEMBL12425015

O=C1NC(c2ccc(C(F)(F)F)cc2F)=C2C(=O)NC(c3ccc(C(F)(F)F)cc3F)=C12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.46
MPL P40238 1/20 0.41
APP P05067 2/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
IDO1 P14902 1/20 0.38
DAO P14920 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
HSD11B1 P28845 1/20 0.36
CYP11B2 P19099 2/20 0.36
PDE2A O00408 1/20 0.36
KIF11 P52732 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL12509636 0.91 TDP2 (0.40) TDP2MPLAPPPARP1PARP10
SCHEMBL12425024 0.90 AKR1C3 (0.40) TDP2APPPARP10STK10SLK
SCHEMBL12424871 0.79 TDP2 (0.46) TDP2PARP1PARP10HSD17B10
SCHEMBL12424951 0.79 STK10 (0.47) TDP2PARP1PARP10STK10SLK
SCHEMBL12424949 0.77 MASP2 (0.45) TDP2
SCHEMBL12424937 0.76 TDP2 (0.41) TDP2PARP1PARP10ALOX5APFEN1
SCHEMBL1408393 0.74 TDP2 (0.44) TDP2MPLAPPPARP1PARP10
SCHEMBL12424987 0.73 TDP2 (0.40) TDP2APPKIF11
SCHEMBL12424740 0.73 TDP2 (0.45) TDP2KIF11
SCHEMBL12424894 0.72 GRM5 (0.37)

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