SCHEMBL12425019

SCHEMBL12425019

O=C1NC(c2c([N+](=O)[O-])ccc(Cl)c2Cl)=C2C(=O)NC(c3c([N+](=O)[O-])ccc(Cl)c3Cl)=C12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
CES1 P23141 1/20 0.40
GSK3B P49841 5/20 0.39
GSK3A P49840 4/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
CCNB2 O95067 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CDK1 P06493 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL12425034 0.91 TDP1 (0.43) TDP1CES1GSK3BGSK3ATSHR
SCHEMBL12424922 0.81 GSK3B (0.45) TDP1CES1GSK3BGSK3ATSHR
SCHEMBL12424920 0.75 MAPT (0.46) GSK3BGSK3AMAPK1ALDH1A1MEN1
SCHEMBL12425021 0.72 TSHR (0.43) TDP1GSK3BGSK3ATSHRMAPK1
SCHEMBL28619341 0.70 TDP1 (0.58) TDP1TSHRMAPK1HPGDALDH1A1
SCHEMBL278488 0.69 TDP1 (1.00) TDP1TSHRMAPK1HPGDALDH1A1
SCHEMBL12424919 0.69 MAPK1 (0.46) TDP1CES1GSK3BGSK3ATSHR
SCHEMBL12425031 0.69 CRHBP (0.43) TDP1GSK3BGSK3ATSHRMAPK1
SCHEMBL5187677 0.69 TSHR (0.60) TDP1CES1TSHRMAPK1CYP3A4
SCHEMBL10726245 0.69 TSHR (0.60) TDP1CES1TSHRMAPK1CYP3A4

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