SCHEMBL12424899

SCHEMBL12424899

COc1ccc(C2=C3C(=O)NC(c4ccc(OC)cc4Cl)=C3C(=O)N2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GSK3B P49841 7/20 0.45
GSK3A P49840 3/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
STK10 O94804 5/20 0.41
SLK Q9H2G2 5/20 0.41
PRKCA P17252 1/20 0.40
CHEK1 O14757 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
NEK2 P51955 1/20 0.39

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
SCHEMBL12509756 0.93 CDK4 (0.41) CDK4CCND1ALDH1A1GSK3BGSK3A
SCHEMBL9338722 0.82 CDK4 (0.47) CDK4CCND1ALDH1A1GSK3BCA1
SCHEMBL12424908 0.78 PPOX (0.52) CDK4CCND1ALDH1A1GSK3BGSK3A
SCHEMBL12325069 0.76 HSP90AA1 (0.56) ALDH1A1CA1CA2CA4CA7
SCHEMBL12424889 0.75 STK10 (0.43) GSK3BCA1CA2CA7CA9
SCHEMBL5892114 0.72 GSTP1 (0.57) CDK4CCND1ALDH1A1GSK3B
SCHEMBL7004111 0.72 PTGS2 (0.54) GSK3BGSK3ACA1CA2CA7
SCHEMBL5892139 0.70 GAA (0.53) ALDH1A1GSK3BSTK10SLKPRKCA
SCHEMBL15769238 0.70 SCN8A (0.43) ALDH1A1CA1CA2CA4CA7
SCHEMBL9340330 0.70 STK10 (0.57) GSK3BGSK3ASTK10SLKPRKCA

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