SCHEMBL7220609

SCHEMBL7220609

Cc1ccc2c(c1C)Nc1cnccc1S2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL2586861 0.77 NOX1 (0.55) GAAMAPTIDO1L3MBTL1ADORA3
SCHEMBL20594006 0.72 SMN1; SMN2 (0.48) GAAMAPTL3MBTL1
SCHEMBL7220824 0.71 ALDH1A1 (0.48) GAAMAPTL3MBTL1
Acetic Acid SCHEMBL27908975 0.70 NOX1 (0.51) GAAMAPTL3MBTL1ADORA3
SCHEMBL7888523 0.69 MAPT (0.79) GAAMAPTIDO1L3MBTL1ADORA3
SCHEMBL19984562 0.63 MAPT (0.34) GAAMAPTIDO1L3MBTL1
SCHEMBL23018616 0.62 L3MBTL1 (0.54) GAAMAPTL3MBTL1
SCHEMBL19984763 0.62 L3MBTL1 (0.68) GAAMAPTIDO1L3MBTL1ADORA3
SCHEMBL12396548 0.62 GAA (0.81) GAAMAPTIDO1L3MBTL1ADORA3
SCHEMBL21101750 0.61 NOX1 (0.52) GAAMAPTIDO1L3MBTL1ADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583138-B1 Mediators or antagonists of the effects of histamine, leukotriene and the like; heterocyclic ring condensed benzothiazine compounds; inhibit the activation of the tyrosine kinase of 72 kDa EISAI CO., LTD. (JP) 2003-06-24 US disclosed
EP-1057830-A1 HETEROCYCLE-FUSED BENZOTHIAZINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-12-06 EP disclosed