SCHEMBL28796563

SCHEMBL28796563

O=[N+]([O-])c1ccc(C2=C3C=CC(=N3)C(c3ccc(O)cc3)=C3C=CC(=N3)C(c3ccc(O)cc3)=C3C=CC(=N3)C(c3ccc(O)cc3)=C3C=CC2=N3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.44
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ELANE P08246 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ GUCY1B2 O75343 1/20 0.40
▸ GUCY1A2 P33402 1/20 0.40
▸ GUCY1A1 Q02108 1/20 0.40
▸ GUCY1B1 Q02153 1/20 0.40
▸ RAD51 Q06609 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ APP P05067 1/20 0.38
▸ CA12 O43570 1/20 0.37

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
SCHEMBL28566541 0.94 ELANE (0.49) NPBWR1MAPTMEN1KMT2AELANE
SCHEMBL26097426 0.92 APP (0.43) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL8355907 0.86 MAPK1 (0.47) NPBWR1MAPTMEN1KMT2ARAB9A
SCHEMBL10587139 0.86 MAPK1 (0.47) NPBWR1MAPTMEN1KMT2ARAB9A
SCHEMBL28565652 0.80 ALDH1A1 (0.49) NPBWR1MAPTMEN1KMT2ARAB9A
SCHEMBL28049798 0.77 MMP3 (0.50) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL6292615 0.77 MMP3 (0.50) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL7258220 0.77 LMNA (0.53) TDP1ALDH1A1LMNAGAAKDM4E
SCHEMBL1539361 0.76 CA1 (0.55) NPBWR1MAPTTDP1DYRK1ADYRK1B
SCHEMBL29199081 0.76 CA1 (0.55) NPBWR1MAPTTDP1DYRK1ADYRK1B

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
CN-102408744-B Photosensitive fuel for dye-sensitized solar cell and preparation method thereof UNIV NORTH CHINA 2013-06-12 — — CN disclosed
CN-102408744-A Photosensitive fuel for dye-sensitized solar cell and preparation method thereof UNIV NORTH CHINA 2012-04-11 — — CN disclosed
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