SCHEMBL12424883

SCHEMBL12424883

CN(C)c1ccc(C2=C3C(=O)NC(c4ccc(N(C)C)c(Cl)c4)=C3C(=O)N2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.42
PTGS1 P23219 6/20 0.42
NPSR1 Q6W5P4 1/20 0.39
GSK3B P49841 3/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
FSCN1 Q16658 1/20 0.33
GSK3A P49840 2/20 0.32
TDP2 O95551 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PGR P06401 1/20 0.32
RAD51 Q06609 1/20 0.31

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
SCHEMBL12425011 0.88 PTGS2 (0.40) PTGS2PTGS1ALDH1A1KMT2APGR
SCHEMBL12424900 0.87 EGFR (0.37) PTGS2PTGS1NPSR1GSK3BALDH1A1
SCHEMBL12425003 0.84 PTGS2 (0.42) PTGS2PTGS1NPSR1TDP2PGR
SCHEMBL12424967 0.81 GSK3B (0.31) GSK3BALDH1A1
SCHEMBL286464 0.79 AHR (0.50) GSK3BGSK3ATDP2GAAKMT2A
SCHEMBL12424885 0.78 GSK3A (0.42) PTGS2PTGS1NPSR1GSK3BALDH1A1
SCHEMBL12424888 0.76 TDP2 (0.51) PTGS2PTGS1TDP2PGR
SCHEMBL23519815 0.75 PDE3B (0.43) PTGS2PTGS1GSK3BGSK3A
SCHEMBL22625732 0.74 GSK3B (0.32) PTGS2GSK3BGSK3ATDP2GAA
SCHEMBL12509875 0.74 GSK3A (0.40) PTGS2PTGS1NPSR1GSK3BALDH1A1

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 3 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-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed