SCHEMBL12424908

SCHEMBL12424908

O=C1NC(c2ccc(Cl)cc2Cl)=C2C(=O)NC(c3ccc(Cl)cc3Cl)=C12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.52
CES1 P23141 3/20 0.47
GSK3B P49841 5/20 0.47
GSK3A P49840 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
RGS12 O14924 1/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
CCNB2 O95067 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CDK1 P06493 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47

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
SCHEMBL12424906 0.85 PPOX (0.52) PPOXCES1GSK3BMAPTTP53
SCHEMBL12424882 0.81 PPOX (0.48) PPOXCES1GSK3BGSK3AMAPT
SCHEMBL12424889 0.81 STK10 (0.43) PPOXGSK3BMAPTMEN1TP53
SCHEMBL12424887 0.79 PPOX (0.50) PPOXCES1GSK3BMAPTLMNA
SCHEMBL2832044 0.79 PPOX (0.55) PPOXCES1GSK3BGSK3AMAPT
SCHEMBL12424899 0.78 CDK4 (0.46) GSK3BGSK3ACDK4CCND1CHEK1
SCHEMBL2838987 0.77 PPOX (0.52) PPOXCES1GSK3BGSK3AMAPT
SCHEMBL12424919 0.76 MAPK1 (0.46) PPOXCES1GSK3BGSK3AMAPT
SCHEMBL9340330 0.76 STK10 (0.57) CES1GSK3BGSK3ASTK10SLK
SCHEMBL12509756 0.72 CDK4 (0.41) GSK3BGSK3ACDK4CCND1CHEK1

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