SCHEMBL12424871

SCHEMBL12424871

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.46
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PIK3CG P48736 1/20 0.40
TGM2 P21980 2/20 0.39
GRM5 P41594 2/20 0.39
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
KMO O15229 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
THRB P10828 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
FLT3 P36888 1/20 0.37
PGR P06401 1/20 0.36

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 0.85 CA9 (0.40) TDP2CA1CA2CA7CA9
SCHEMBL29944694 0.84 TDP2 (0.49) TDP2CA1CA2CA7CA9
SCHEMBL20595514 0.84 TDP2 (0.49) TDP2CA1CA2CA7CA9
SCHEMBL12424889 0.81 STK10 (0.43) TDP2CA1CA2CA7CA9
SCHEMBL12424937 0.81 TDP2 (0.41) TDP2CA1CA2CA7CA9
SCHEMBL12425015 0.79 TDP2 (0.46) TDP2PARP1PARP10HSD17B10
SCHEMBL12424876 0.78 NISCH (0.41) CA1CA2CA7CA9TGM2
SCHEMBL12424938 0.78 CA1 (0.38) CA1CA2CA7CA9TGM2
SCHEMBL12424894 0.78 GRM5 (0.37) TGM2GRM5MEN1KMT2APDE3B
SCHEMBL5028664 0.77 TDP2 (0.43) TDP2CA1CA2CA7CA9

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