SCHEMBL12424997

SCHEMBL12424997

O=C1NC(c2ccc(C(F)(F)F)cc2)=C2C(=O)NC(c3ccc(F)cc3)=C12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.42
TDP2 O95551 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KIF11 P52732 6/20 0.39
NOTUM Q6P988 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
BACE1 P56817 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
COMT P21964 1/20 0.36
PARP1 P09874 1/20 0.35
PRF1 P14222 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
SCHEMBL12424740 0.93 TDP2 (0.45) TDP2KIF11NOTUMPIM1PIM2
SCHEMBL12424982 0.89 RXRA (0.38) NPY5RTDP2KDM4EKIF11
SCHEMBL12424865 0.87 MAPT (0.41) NOTUMPIM1PIM2PTGS1
SCHEMBL12509874 0.87 RORC (0.40) NPY5RTDP2
SCHEMBL12424858 0.86 KIF11 (0.57) TDP2KIF11BACE1PTGS2PARP1
SCHEMBL12424986 0.85 TDP2 (0.38) TDP2KIF11NOTUMPIM1PIM2
SCHEMBL12425041 0.85 PTGS2 (0.41) TDP2KIF11NOTUMPIM1PIM2
SCHEMBL12424995 0.85 TDP2 (0.43) TDP2KIF11NOTUMPIM1PIM2
SCHEMBL12425000 0.85 TP53 (0.45) NPY5RKIF11NOTUMPARP1PRF1
SCHEMBL12424987 0.84 TDP2 (0.40) TDP2KIF11NOTUMPIM1PIM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed
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