SCHEMBL7859189

SCHEMBL7859189

CC(C)C=NNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
CCR6 P51684 1/20 0.56
TLR9 Q9NR96 2/20 0.55
HKDC1 Q2TB90 1/20 0.54
TNNI3 P19429 1/20 0.54
TNNT2 P45379 1/20 0.54
TNNC1 P63316 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
CDK5 Q00535 1/20 0.54
CDK5R1 Q15078 1/20 0.54
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
HSP90AA1 P07900 1/20 0.52
PAX8 Q06710 1/20 0.52
KLF5 Q13887 1/20 0.52
CYP1A2 P05177 2/20 0.51
GAA P10253 2/20 0.51
HTT P42858 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51

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
SCHEMBL8539297 0.84 MAPT (0.60) MAPTCCR6TLR9HKDC1TNNI3
SCHEMBL7860479 0.79 TLR9 (0.67) MAPTCCR6TLR9HKDC1TNNI3
SCHEMBL7860481 0.79 TLR9 (0.67) MAPTCCR6TLR9HKDC1TNNI3
SCHEMBL8977653 0.76 MAPT (0.69) MAPTCCR6TLR9HKDC1TNNI3
SCHEMBL7859404 0.76 MAPT (0.77) MAPTCCR6TLR9HKDC1TNNI3
SCHEMBL8977647 0.76 MAPT (0.69) MAPTCCR6TLR9HKDC1TNNI3
SCHEMBL7863715 0.76 MAPT (0.77) MAPTCCR6TLR9HKDC1TNNI3
SCHEMBL24115295 0.75 RAB9A (0.43) MAPTGAASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL30716729 0.75 ALDH1A1 (0.60) MAPTKMT2AMEN1CYP1A2GAA
SCHEMBL3018141 0.75 ALDH1A1 (0.60) MAPTKMT2AMEN1CYP1A2GAA

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