SCHEMBL7714466

SCHEMBL7714466

Cc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1S2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 3/20 0.52
▸ TP53 P04637 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ BCHE P06276 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ CES1 P23141 2/20 0.49
▸ MAPT P10636 4/20 0.46
▸ ROS1 P08922 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ ACVR1 Q04771 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ TGM2 P21980 1/20 0.45
▸ GAA P10253 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ CHEK2 O96017 1/20 0.45

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
SCHEMBL25666664 0.94 TP53 (0.50) NOX1TP53SMN1; SMN2POLBBCHE
SCHEMBL2113682 0.82 L3MBTL1 (0.68) NOX1TP53SMN1; SMN2POLBBCHE
SCHEMBL7710864 0.82 L3MBTL1 (0.68) NOX1TP53SMN1; SMN2POLBBCHE
SCHEMBL17085854 0.79 TP53 (0.58) NOX1TP53SMN1; SMN2POLBMAPT
SCHEMBL29441735 0.79 TP53 (0.58) NOX1TP53SMN1; SMN2POLBMAPT
SCHEMBL3190862 0.79 L3MBTL1 (0.68) TP53SMN1; SMN2POLBMAPTROS1
SCHEMBL31098239 0.79 L3MBTL1 (0.68) NOX1TP53SMN1; SMN2POLBBCHE
SCHEMBL11505467 0.78 NOX1 (0.51) NOX1TP53SMN1; SMN2POLBBCHE
SCHEMBL24223773 0.77 BCHE (0.44) NOX1BCHEACHECES1MAPT
SCHEMBL29355916 0.76 HPGD (0.51) NOX1TP53SMN1; SMN2POLBBCHE

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
WO-2011121602-A1 PROCESS FOR PREPARATION OF DIBENZOTHIAZEPINONE COMPOUNDS HIKAL LIMITED (IN) 2011-10-06 — — WO disclosed
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