SCHEMBL17295536

SCHEMBL17295536

Cn1ncc2cc(C=C3SC(=Nc4ccc(F)cc4)N(C4CCCCC4)C3=O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.52
▸ DYRK3 O43781 3/20 0.45
▸ CLK1 P49759 3/20 0.45
▸ CLK3 P49761 3/20 0.45
▸ DYRK1A Q13627 3/20 0.45
▸ DYRK2 Q92630 3/20 0.45
▸ CLK4 Q9HAZ1 3/20 0.45
▸ DYRK1B Q9Y463 3/20 0.45
▸ DYRK4 Q9NR20 2/20 0.45
▸ CLK2 P49760 2/20 0.45
▸ S1PR1 P21453 2/20 0.45
▸ S1PR3 Q99500 1/20 0.45
▸ MGAM O43451 2/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ ESRRA P11474 5/20 0.41
▸ HSD17B3 P37058 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL17295534 1.00 FAAH (0.52) FAAHDYRK3CLK1CLK3DYRK1A
SCHEMBL17295634 0.92 FAAH (0.53) FAAHDYRK3CLK1CLK3DYRK1A
SCHEMBL17295633 0.92 FAAH (0.53) FAAHDYRK3CLK1CLK3DYRK1A
SCHEMBL17295607 0.79 FAAH (0.55) FAAHS1PR1S1PR3MGAMCA12
SCHEMBL17295605 0.79 FAAH (0.55) FAAHS1PR1S1PR3MGAMCA12
SCHEMBL19096228 0.78 FAAH (0.54) FAAHDYRK3DYRK1ADYRK2DYRK1B
SCHEMBL19096508 0.77 FAAH (0.51) FAAHS1PR1S1PR3MGAMCA12
SCHEMBL31310393 0.76 CA12 (0.67) FAAHS1PR1S1PR3MGAMCA12
SCHEMBL17295402 0.73 ALDH1A1 (0.49) FAAHCLK1DYRK1ACLK4DYRK1B
SCHEMBL17295401 0.73 ALDH1A1 (0.49) FAAHCLK1DYRK1ACLK4DYRK1B

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
EP-3148990-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION Universität Bern (CH) 2017-04-05 — — EP disclosed
WO-2015181337-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION Universität Bern (CH) 2015-12-03 — — WO disclosed
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