SCHEMBL9575562

SCHEMBL9575562

N#Cc1cccc(C(=O)c2ccccc2S)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.54
CLK1 P49759 1/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
VNN1 O95497 7/20 0.46
MAPK14 Q16539 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 1/20 0.43
PPARG P37231 1/20 0.43
MAPT P10636 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
S1PR3 Q99500 1/20 0.41

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
SCHEMBL9575571 0.83 GSK3B (0.51) GSK3BCLK1DYRK1ADYRK1BVNN1
SCHEMBL9575857 0.82 GSK3B (0.47) GSK3BMAPK14MAPTHDAC8
SCHEMBL11057542 0.81 GSK3B (0.50) GSK3BCLK1DYRK1ADYRK1BVNN1
SCHEMBL4201889 0.80 ATM (0.63) GSK3BCLK1DYRK1ADYRK1BVNN1
SCHEMBL9575847 0.79 F2 (0.44) GSK3BVNN1MAPT
SCHEMBL7473918 0.79 GSK3B (0.48) GSK3BCLK1DYRK1ADYRK1BVNN1
SCHEMBL9575546 0.78 NPC1 (0.47) GSK3BVNN1MAPK14
SCHEMBL9797519 0.78 GSK3B (0.53) GSK3BCLK1DYRK1ADYRK1BVNN1
Water SCHEMBL28352748 0.77 MAPT (0.61) MAPTHDAC8
SCHEMBL5226711 0.77 MAPK14 (0.50) GSK3BCLK1DYRK1ADYRK1BVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367671-B1 NOVEL BETA-D-PHENYLTHIOXYLOSIDES, THEIR METHOD OF PREPARATION AND THEIR USE AS PHARMACEUTICALS FOURNIER INDUSTRIE ET SANTE (FR) 1993-07-28 EP disclosed
US-4960758-A Antithrombotics FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-02 US disclosed
EP-0367671-A2 Novel beta-D-phenylthioxylosides, their method of preparation and their use as pharmaceuticals FOURNIER INDUSTRIE ET SANTE (FR) 1990-05-09 EP disclosed