SCHEMBL9575709

SCHEMBL9575709

CN(C)C(=S)Oc1ccccc1C(=O)c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
MAPK14 Q16539 1/20 0.40
GSK3B P49841 2/20 0.40
VNN1 O95497 6/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
PPARG P37231 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TYMS P04818 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
SCHEMBL9575840 0.86 ELANE (0.44) ELANEKDM4ESMN1; SMN2HSD17B10
SCHEMBL9575901 0.84 NCEH1 (0.40) ELANEKDM4EHSD17B10
SCHEMBL6392908 0.82 ELANE (0.59) ELANEKDM4EHSD17B10
SCHEMBL9575546 0.81 NPC1 (0.47) MAPK14GSK3BVNN1SMN1; SMN2
SCHEMBL9797353 0.81 VNN1 (0.45) ELANEGSK3BVNN1HTT
SCHEMBL9575885 0.79 ELANE (0.43) ELANEKDM4ESMN1; SMN2HSD17B10
SCHEMBL9575685 0.73 GSK3B (0.42) MAPK14GSK3BVNN1CLK1DYRK1A
SCHEMBL4426177 0.73 POLB (0.55) ELANEKDM4EHTT
SCHEMBL9493319 0.72 MGLL (0.45)
SCHEMBL9575571 0.72 GSK3B (0.51) MAPK14GSK3BVNN1CLK1DYRK1A

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