SCHEMBL7860481

SCHEMBL7860481

CC(C)c1ccc(C=NNc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.67
MAPT P10636 10/20 0.62
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
CDK5 Q00535 1/20 0.59
CDK5R1 Q15078 1/20 0.59
KMT2A Q03164 8/20 0.58
MEN1 O00255 7/20 0.58
ALDH1A1 P00352 5/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CCR6 P51684 1/20 0.56
HKDC1 Q2TB90 1/20 0.54
TNNI3 P19429 1/20 0.54
TNNT2 P45379 1/20 0.54
TNNC1 P63316 1/20 0.54
HSP90AA1 P07900 1/20 0.52
PAX8 Q06710 1/20 0.52
KLF5 Q13887 1/20 0.52

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
SCHEMBL7860479 1.00 TLR9 (0.67) TLR9MAPTGSK3AGSK3BCDK5
SCHEMBL7863715 0.83 MAPT (0.77) TLR9MAPTGSK3AGSK3BCDK5
SCHEMBL7859404 0.83 MAPT (0.77) TLR9MAPTGSK3AGSK3BCDK5
SCHEMBL8977620 0.82 MAPT (0.75) TLR9MAPTGSK3AGSK3BCDK5
SCHEMBL8977618 0.82 MAPT (0.75) TLR9MAPTGSK3AGSK3BCDK5
SCHEMBL7860440 0.81 MEN1 (0.68) TLR9MAPTKMT2AMEN1ALDH1A1
SCHEMBL7860443 0.81 MEN1 (0.68) TLR9MAPTKMT2AMEN1ALDH1A1
SCHEMBL7859189 0.79 MAPT (0.56) TLR9MAPTGSK3AGSK3BCDK5
SCHEMBL8539297 0.77 MAPT (0.60) TLR9MAPTGSK3AGSK3BCDK5
SCHEMBL8977758 0.77 MAPT (1.00) TLR9MAPTGSK3AGSK3BCDK5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729139-B1 Optical recording medium using formazan metal complex dye TDK CORP (JP) 2001-02-07 EP disclosed
US-5604004-A Optical recording medium using formazan metal complex dye and photo-stabilizing method TDK CORPORATION (JP) 1997-02-18 US disclosed
EP-0729139-A1 Optical recording medium using formazan metal complex dye and photo-stabilizing method TDK Corporation (JP) 1996-08-28 EP disclosed