SCHEMBL9007359

SCHEMBL9007359

FC(F)(F)c1ccc2c(c1)NC(=S)c1ccccc1S2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 4/20 0.68
CYBB P04839 1/20 0.68
NOX3 Q9HBY0 1/20 0.68
NOX4 Q9NPH5 1/20 0.68
ALDH1A1 P00352 2/20 0.62
MAPT P10636 4/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
USP2 O75604 2/20 0.44
GAA P10253 2/20 0.44
NFKB1 P19838 2/20 0.42
JUN P05412 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CHRM1 P11229 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL9007315 0.87 NOX1 (0.66) NOX1CYBBNOX3NOX4ALDH1A1
SCHEMBL8881132 0.83 NOX1 (0.68) NOX1CYBBNOX3NOX4ALDH1A1
SCHEMBL560225 0.82 NOX1 (1.00) NOX1CYBBNOX3NOX4ALDH1A1
Phenothiazine SCHEMBL6532335 0.82 NOX1 (1.00) NOX1CYBBNOX3NOX4ALDH1A1
SCHEMBL29475150 0.82 NOX1 (1.00) NOX1CYBBNOX3NOX4ALDH1A1
SCHEMBL9007395 0.81 NOX1 (0.51) NOX1CYBBNOX3NOX4ALDH1A1
Benzene SCHEMBL29242186 0.80 NOX1 (0.97) NOX1CYBBNOX3NOX4ALDH1A1
SCHEMBL7970097 0.78 ALDH1A1 (1.00) NOX1CYBBNOX3NOX4ALDH1A1
SCHEMBL11880410 0.75 NOX1 (0.49) NOX1CYBBNOX3NOX4ALDH1A1
SCHEMBL1855582 0.74 NOX1 (0.83) NOX1CYBBNOX3NOX4ALDH1A1

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
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