SCHEMBL11823962

SCHEMBL11823962

O=C(O)c1cccc2c1Nc1ccc(C(F)(F)F)cc1S2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 2/20 0.49
▸ CYBB P04839 1/20 0.49
▸ NOX3 Q9HBY0 1/20 0.49
▸ NOX4 Q9NPH5 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TAS2R14 Q9NYV8 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ AR P10275 1/20 0.39
▸ GRIK1 P39086 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ GAA P10253 1/20 0.38

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
Flutiazin SCHEMBL193601 0.91 NOX1 (0.58) NOX1CYBBNOX3NOX4ALDH1A1
Flutiazin SCHEMBL29394002 0.91 NOX1 (0.58) NOX1CYBBNOX3NOX4ALDH1A1
Flutiazin SCHEMBL11811863 0.90 NOX1 (0.57) NOX1CYBBNOX3NOX4ALDH1A1
Flutiazin SCHEMBL11818117 0.85 NOX1 (0.51) NOX1CYBBNOX3NOX4ALDH1A1
SCHEMBL11817545 0.81 SNCA (0.45) NOX1CYBBNOX3NOX4KDM4E
SCHEMBL293434 0.80 ALOX5 (0.54) NOX1CYBBNOX3NOX4ALDH1A1
Benzene SCHEMBL28125613 0.80 ALOX5 (0.54) NOX1CYBBNOX3NOX4ALDH1A1
SCHEMBL11811857 0.80 NOX1 (0.57) NOX1CYBBNOX3NOX4ALDH1A1
SCHEMBL11811978 0.78 NOX1 (0.58) NOX1ALDH1A1HPGDKDM4EMAPT
SCHEMBL20444601 0.78 NOX1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3962438-A Anti-arthritic 1H-pyrimido-(5,4,3-kl)phenothiazine-1,3(2H)-diones and 1-thiones SMITHKLINE CORPORATION (US) 1976-06-08 — — US disclosed
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