SCHEMBL12424919

SCHEMBL12424919

O=C1NC(c2ccc(Cl)cc2[N+](=O)[O-])=C2C(=O)NC(c3ccc(Cl)cc3[N+](=O)[O-])=C12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
TSHR P16473 1/20 0.46
GSK3B P49841 2/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
VCAM1 P19320 1/20 0.44
PPOX P50336 1/20 0.43
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 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
SCHEMBL6125034 0.79 MAPK1 (0.63) MAPK1TSHRALDH1A1L3MBTL1VCAM1
SCHEMBL12424949 0.78 MASP2 (0.45) MAPK1TSHRALDH1A1MAPTHPGD
SCHEMBL12424908 0.76 PPOX (0.52) MAPK1GSK3BALDH1A1PPOXMAPT
SCHEMBL2138649 0.74 MAPK1 (0.57) MAPK1TSHRALDH1A1L3MBTL1VCAM1
SCHEMBL12424882 0.73 PPOX (0.48) MAPK1GSK3BPPOXMAPTNFKB1
SCHEMBL12424906 0.73 PPOX (0.52) GSK3BALDH1A1PPOXMAPTCES1
SCHEMBL12425021 0.72 TSHR (0.43) MAPK1TSHRGSK3BALDH1A1VCAM1
SCHEMBL12424920 0.72 MAPT (0.46) MAPK1GSK3BALDH1A1VCAM1MAPT
SCHEMBL12424887 0.71 PPOX (0.50) GSK3BPPOXMAPTLMNACES1
SCHEMBL5214993 0.70 RAB9A (0.63) MAPK1TSHRALDH1A1L3MBTL1VCAM1

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