SCHEMBL12424911

SCHEMBL12424911

O=C1NC(c2cc(Cl)cc(Cl)c2)=C2C(=O)NC(c3cc(Cl)cc(Cl)c3)=C12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.36
TSHR P16473 1/20 0.36
PGR P06401 1/20 0.36
DNMT1 P26358 1/20 0.35
PPOX P50336 1/20 0.34
PTGS2 P35354 1/20 0.34
DNM1 Q05193 1/20 0.34
GSK3B P49841 7/20 0.33
GSK3A P49840 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32

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
SCHEMBL12509936 0.83 TYMP (0.34) CES1PGR
SCHEMBL814569 0.79 GSK3B (0.50) PGRGSK3BGSK3A
SCHEMBL91966 0.77 PTGS2 (0.50) TSHRPPOXPTGS2GSK3BGSK3A
SCHEMBL10607586 0.75 GSK3B (0.54) PGRGSK3BGSK3A
SCHEMBL13204641 0.74 GSK3B (0.52) PGRGSK3BGSK3A
SCHEMBL12424888 0.74 TDP2 (0.51) PGRPTGS2
SCHEMBL12424873 0.73 TGM2 (0.35) CES1PGRPTGS2
SCHEMBL12424924 0.72 KDR (0.38) PTGS2GSK3BGSK3A
SCHEMBL286464 0.72 AHR (0.50) PGRGSK3BGSK3A
SCHEMBL7750652 0.71 AHR (0.43) TSHRPTGS2GSK3BGSK3A

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