SCHEMBL12424740

SCHEMBL12424740

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.45
KIF11 P52732 8/20 0.43
NOTUM Q6P988 1/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
BACE1 P56817 1/20 0.42
COMT P21964 1/20 0.39
PRF1 P14222 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TNKS O95271 1/20 0.37
WNT3A P56704 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37

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
SCHEMBL12424858 0.93 KIF11 (0.57) TDP2KIF11BACE1TNKSWNT3A
SCHEMBL12424997 0.93 NPY5R (0.42) TDP2KIF11NOTUMPIM1PIM2
SCHEMBL12424995 0.91 TDP2 (0.43) TDP2KIF11NOTUMPIM1PIM2
SCHEMBL12425041 0.91 PTGS2 (0.41) TDP2KIF11NOTUMPIM1PIM2
SCHEMBL10085726 0.88 KIF11 (0.41) TDP2KIF11NOTUMPIM1PIM2
SCHEMBL12424986 0.88 TDP2 (0.38) TDP2KIF11NOTUMPIM1PIM2
SCHEMBL16441196 0.87 KIF11 (0.62) TDP2KIF11
SCHEMBL12424987 0.87 TDP2 (0.40) TDP2KIF11NOTUMPIM1PIM2
SCHEMBL12424979 0.87 PARP10 (0.46) TDP2KIF11NOTUMBACE1PRF1
SCHEMBL12424982 0.81 RXRA (0.38) TDP2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957256-B Synthesis method of pyrrolo-pyrrole-dione-based aza-ring conjugated molecule 中国科学院化学研究所 2023-04-18 CN disclosed
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed
EP-2621927-B1 SEMICONDUCTORS BASED ON DIKETOPYRROLOPYRROLES BASF SE (DE) 2020-02-12 EP 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