SCHEMBL12424922

SCHEMBL12424922

O=C1NC(c2c(Cl)cccc2[N+](=O)[O-])=C2C(=O)NC(c3c(Cl)cccc3[N+](=O)[O-])=C12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.45
S100A4 P26447 2/20 0.45
GSK3A P49840 3/20 0.44
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GMNN O75496 1/20 0.43
CCNB2 O95067 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CDK1 P06493 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CCNB1 P14635 1/20 0.43

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
SCHEMBL12425019 0.81 TDP1 (0.51) GSK3BS100A4GSK3AKMT2ATDP1
SCHEMBL12424909 0.81 CES1 (0.52) GSK3BGSK3ACES1
SCHEMBL12425034 0.76 TDP1 (0.43) GSK3BGSK3AKMT2ATDP1SMN1; SMN2
SCHEMBL12425026 0.73 PBRM1 (0.45) GSK3BMAPTALDH1A1CA1CA2
SCHEMBL20276535 0.73 S100A4 (0.62) S100A4KMT2ATDP1SMN1; SMN2MEN1
SCHEMBL1566920 0.72 S100A4 (0.68) S100A4KMT2ATDP1MAPTHPGD
SCHEMBL12424920 0.72 MAPT (0.46) GSK3BGSK3AKMT2AMEN1MAPT
SCHEMBL2495684 0.71 S100A4 (0.56) S100A4KMT2ATDP1SMN1; SMN2MEN1
SCHEMBL30462497 0.71 TDP1 (0.53) S100A4KMT2ATDP1MEN1MAPT
SCHEMBL18967848 0.71 S100A4 (0.56) S100A4KMT2ATDP1SMN1; SMN2MEN1

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