SCHEMBL8880299

SCHEMBL8880299

O=C1Nc2ccccc2Sc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SNCA P37840 6/20 0.68
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.60
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CAPN9 O14815 1/20 0.52
CASP3 P42574 1/20 0.52
NOX1 Q9Y5S8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
GSK3B P49841 3/20 0.45
APP P05067 2/20 0.45
TTR P02766 1/20 0.45
LRRK2 Q5S007 1/20 0.45
PTPRC P08575 1/20 0.44

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
SCHEMBL9007278 0.85 SNCA (0.66) SNCAKMT2AMEN1L3MBTL1MAPT
SCHEMBL8941280 0.84 SNCA (0.82) SNCAKMT2AMEN1MAPTPOLB
SCHEMBL239724 0.81 SNCA (1.00) SNCAKMT2AMEN1L3MBTL1MAPT
SCHEMBL30769632 0.81 SNCA (1.00) SNCAKMT2AMEN1L3MBTL1MAPT
Phenothiazine SCHEMBL27788701 0.80 SNCA (0.81) SNCAKMT2AMEN1L3MBTL1MAPT
SCHEMBL6298018 0.78 KMT2A (1.00) SNCAKMT2AMEN1L3MBTL1MAPT
SCHEMBL8988 0.77 L3MBTL1 (1.00) SNCAKMT2AMEN1L3MBTL1MAPT
SCHEMBL8878671 0.77 L3MBTL1 (0.68) SNCAKMT2AMEN1L3MBTL1MAPT
SCHEMBL1567426 0.77 L3MBTL1 (0.68) SNCAKMT2AMEN1L3MBTL1MAPT
SCHEMBL31098239 0.77 L3MBTL1 (0.68) SNCAKMT2AMEN1L3MBTL1MAPT

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-5607929-A Antiviral dibenzothiazepinone derivatives GLAXO WELLCOME INC. (US) 1997-03-04 US disclosed
US-5589474-A Dibenzothiazepinthione as antiviral agents GLAXO WELLCOME INC. (US) 1996-12-31 US disclosed
EP-0583317-A1 DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-23 EP disclosed
WO-1992019607-A1 DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1992-11-12 WO disclosed