SCHEMBL12424905

SCHEMBL12424905

O=C1NC(c2cccc(Cl)c2Cl)=C2C(=O)NC(c3cccc(Cl)c3Cl)=C12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.52
NSD2 O96028 1/20 0.52
BCHE P06276 1/20 0.52
DAO P14920 1/20 0.52
NOTUM Q6P988 1/20 0.44
GALR3 O60755 1/20 0.43
STK10 O94804 7/20 0.42
SLK Q9H2G2 7/20 0.42
GSK3B P49841 5/20 0.42
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
IGF1R P08069 1/20 0.40
IDO1 P14902 1/20 0.40
GSK3A P49840 1/20 0.38
PRKCA P17252 1/20 0.38
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
TGM2 P21980 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
SCHEMBL9340330 0.84 STK10 (0.57) CES1NSD2BCHEDAOSTK10
SCHEMBL12424890 0.81 CES1 (0.44) CES1NSD2BCHEDAOSTK10
SCHEMBL12424909 0.78 CES1 (0.52) CES1NSD2BCHEDAOSTK10
SCHEMBL10016209 0.75 STK10 (0.46) CES1NSD2BCHEDAOSTK10
SCHEMBL440943 0.71 TSHR (0.52) NOTUMIDO1
SCHEMBL12425026 0.70 PBRM1 (0.45) CES1NSD2BCHEDAOSTK10
SCHEMBL2343846 0.70 CES1 (0.44) CES1NSD2BCHEDAONOTUM
SCHEMBL12424738 0.69 KDM4E (0.47) STK10SLKGSK3BSIRT2PRKCA
SCHEMBL12424870 0.69 CA1 (0.38) CES1BCHESTK10SLKGSK3B
SCHEMBL12424906 0.69 PPOX (0.52) CES1STK10SLKGSK3BIDO1

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