SCHEMBL11808295

SCHEMBL11808295

O=C(O)c1cccc2c1Nc1cc(F)ccc1S2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 7/20 0.44
▸ ALOX5 P09917 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ TP53 P04637 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ GAA P10253 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYBB P04839 2/20 0.40
▸ NOX3 Q9HBY0 2/20 0.40
▸ NOX4 Q9NPH5 2/20 0.40
▸ APP P05067 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ KEAP1 Q14145 1/20 0.37
▸ LIG1 P18858 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL11818316 0.83 NOX1 (0.55) NOX1ALOX5MAPTTP53SMN1; SMN2
Flutiazin SCHEMBL193601 0.83 NOX1 (0.58) NOX1ALOX5MAPTGAAMEN1
Flutiazin SCHEMBL29394002 0.83 NOX1 (0.58) NOX1ALOX5MAPTGAAMEN1
Benzene SCHEMBL28125613 0.82 ALOX5 (0.54) NOX1ALOX5MAPTGAAMEN1
SCHEMBL293434 0.82 ALOX5 (0.54) NOX1ALOX5MAPTGAAMEN1
Flutiazin SCHEMBL11811863 0.82 NOX1 (0.57) NOX1ALOX5MAPTGAAMEN1
SCHEMBL11812879 0.78 NOX1 (0.41) NOX1ALOX5MAPTTP53SMN1; SMN2
Flutiazin SCHEMBL11818117 0.77 NOX1 (0.51) NOX1ALOX5MAPTGAAMEN1
SCHEMBL11823962 0.76 NOX1 (0.49) NOX1ALOX5MAPTRXFP1GAA
SCHEMBL11817545 0.75 SNCA (0.45) NOX1ALOX5MAPTRXFP1GAA

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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