SCHEMBL3407557

SCHEMBL3407557

CC(CS)N(C(=O)O)c1ccc2ncsc2n1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.33
DYRK3 O43781 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK4 Q9NR20 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL3405645 0.84 ABHD6 (0.30) DYRK3CLK1CLK2CLK3GSK3A
SCHEMBL3410002 0.75 IRAK4 (0.35) IRAK4KDM4ENPC1RAB9AHKDC1
SCHEMBL3410313 0.75 NPC1 (0.46) KDM4ENPC1RAB9AHKDC1TDP1
SCHEMBL3407756 0.74 SMPD1 (0.34) NPC1RAB9A
SCHEMBL3407555 0.66 MAPT (0.32)
SCHEMBL3402152 0.65 NAALAD2 (0.37)
SCHEMBL22445787 0.64 KDM4E (0.46) KDM4ENPC1RAB9AHKDC1TDP1
SCHEMBL2869557 0.64 GFER (0.40) DYRK3CLK1CLK2CLK3GSK3B
SCHEMBL25142297 0.63 DYRK3 (0.32) DYRK3CLK1CLK2CLK3GSK3A
SCHEMBL25804749 0.63 RAB9A (0.38) IRAK4KDM4ENPC1RAB9AHKDC1

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed