SCHEMBL8879433

SCHEMBL8879433

COc1ccc2c(c1)Sc1ccccc1C(=O)N2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
GAA P10253 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
NOX1 Q9Y5S8 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
MAPK1 P28482 2/20 0.68
HTT P42858 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
LMNA P02545 1/20 0.68
SNCA P37840 3/20 0.64
TSHR P16473 1/20 0.52
ALDH1A1 P00352 6/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
LRRK2 Q5S007 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALOX15 P16050 1/20 0.46

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
SCHEMBL3175562 0.89 NOX1 (0.68) MAPTGAASMN1; SMN2L3MBTL1NOX1
SCHEMBL3176131 0.86 NOX1 (0.68) MAPTGAASMN1; SMN2L3MBTL1NOX1
SCHEMBL9007338 0.83 MAPT (0.68) MAPTGAASMN1; SMN2L3MBTL1NOX1
SCHEMBL4080414 0.82 NOX1 (1.00) MAPTGAASMN1; SMN2L3MBTL1NOX1
SCHEMBL3489840 0.79 SNCA (1.00) MAPTGAASMN1; SMN2L3MBTL1NOX1
SCHEMBL29636455 0.79 SNCA (1.00) MAPTGAASMN1; SMN2L3MBTL1NOX1
SCHEMBL11386797 0.79 TP53 (0.64) MAPTGAASMN1; SMN2L3MBTL1MEN1
SCHEMBL8988 0.78 L3MBTL1 (1.00) MAPTGAASMN1; SMN2L3MBTL1NOX1
SCHEMBL10669023 0.78 L3MBTL1 (0.68) MAPTGAASMN1; SMN2L3MBTL1NOX1
SCHEMBL10671474 0.77 L3MBTL1 (0.54) MAPTGAASMN1; SMN2L3MBTL1NOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728735-A LIPOXYGENASE INHIBITORS MERCK & CO., INC. (US) 1988-03-01 US claimed
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
US-4728735-A LIPOXYGENASE INHIBITORS MERCK & CO., INC. (US) 1988-03-01 US disclosed