SCHEMBL8879904

SCHEMBL8879904

O=C1Nc2ccccc2Sc2cc(C(F)(F)F)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 5/20 0.66
▸ CYBB P04839 1/20 0.66
▸ NOX3 Q9HBY0 1/20 0.66
▸ NOX4 Q9NPH5 1/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ JUN P05412 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ MAPT P10636 6/20 0.48
▸ GAA P10253 4/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALOX15 P16050 4/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ BCHE P06276 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ALOX12 P18054 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
SCHEMBL8881132 0.87 NOX1 (0.68) NOX1CYBBNOX3NOX4L3MBTL1
SCHEMBL9007315 0.82 NOX1 (0.66) NOX1CYBBNOX3NOX4L3MBTL1
SCHEMBL30811565 0.81 NOX1 (0.84) NOX1CYBBNOX3NOX4L3MBTL1
SCHEMBL10372692 0.81 NOX1 (0.84) NOX1CYBBNOX3NOX4L3MBTL1
Phenothiazine SCHEMBL6532335 0.80 NOX1 (1.00) NOX1CYBBNOX3NOX4L3MBTL1
SCHEMBL29475150 0.80 NOX1 (1.00) NOX1CYBBNOX3NOX4L3MBTL1
SCHEMBL560225 0.80 NOX1 (1.00) NOX1CYBBNOX3NOX4L3MBTL1
SCHEMBL9315173 0.79 SMN1; SMN2 (0.44) NOX1CYBBNOX3NOX4L3MBTL1
SCHEMBL8988 0.79 L3MBTL1 (1.00) NOX1L3MBTL1MAPTGAAALOX15
Benzene SCHEMBL29242186 0.78 NOX1 (0.97) NOX1CYBBNOX3NOX4L3MBTL1

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
Send feedback