SCHEMBL12424901

SCHEMBL12424901

COc1cccc(Cl)c1C1=C2C(=O)NC(c3c(Cl)cccc3OC)=C2C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.49
CACNG8 Q8WXS5 1/20 0.49
TGM2 P21980 2/20 0.45
SLK Q9H2G2 8/20 0.45
STK10 O94804 7/20 0.45
GSK3B P49841 4/20 0.45
GSK3A P49840 2/20 0.45
CLK2 P49760 1/20 0.45
STK33 Q9BYT3 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TLK1 Q9UKI8 1/20 0.45
CHEK1 O14757 1/20 0.43
WEE1 P30291 1/20 0.43
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 1/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 1/20 0.41
S1PR4 O95977 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41

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
SCHEMBL12424909 0.82 CES1 (0.52) GRIA1CACNG8TGM2SLKSTK10
SCHEMBL12424881 0.82 STK10 (0.45) SLKSTK10GSK3BGSK3ACLK2
SCHEMBL12509757 0.75 STK10 (0.38) SLKSTK10GSK3BGSK3ACLK2
SCHEMBL12425026 0.75 PBRM1 (0.45) TGM2SLKSTK10GSK3BCES1
SCHEMBL9042282 0.73 GSK3B (0.56) SLKSTK10GSK3BGSK3ACLK2
SCHEMBL30445783 0.70 CES1 (0.55) TGM2SLKSTK10GSK3BGSK3A
SCHEMBL13673284 0.70 CHEK1 (0.41) GRIA1CACNG8TGM2SLKSTK10
SCHEMBL12424922 0.70 GSK3B (0.45) GSK3BGSK3ACES1KDM4EMAPT
SCHEMBL29057611 0.69 GRIA1 (0.50) GRIA1CACNG8TGM2HSP90AA1HSP90AB1
SCHEMBL14993882 0.69 GRIA1 (0.44) GRIA1CACNG8TGM2HSP90AA1HSP90AB1

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