SCHEMBL9208013

SCHEMBL9208013

CC1=C(c2ccccc2SCCSc2ccccc2C2=C(C)C(=O)NC2=O)C(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK10 O94804 6/20 0.41
SLK Q9H2G2 6/20 0.41
GSK3B P49841 4/20 0.39
HTR7 P34969 2/20 0.39
CDC25A P30304 4/20 0.37
CDC25B P30305 4/20 0.37
S100A4 P26447 3/20 0.37
MAP2K7 O14733 3/20 0.37
CLK2 P49760 1/20 0.35
GSK3A P49840 1/20 0.35
CASP3 P42574 1/20 0.35
CASP2 P42575 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
PDE5A O76074 1/20 0.35
PTGS2 P35354 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL9204436 0.85 STK10 (0.43) STK10SLKGSK3BCLK2GSK3A
SCHEMBL9200511 0.85 STK10 (0.43) STK10SLKGSK3BCLK2GSK3A
SCHEMBL19583334 0.80 GSK3B (0.54) STK10SLKGSK3BCLK2GSK3A
SCHEMBL9206390 0.79 STK10 (0.46) STK10SLKGSK3BCDC25ACDC25B
SCHEMBL9204273 0.79 PPOX (0.44) STK10SLKGSK3BCLK2GSK3A
SCHEMBL3675474 0.75 GSK3B (0.48) STK10SLKGSK3BCASP3CASP2
SCHEMBL3671511 0.70 GSK3B (0.66) STK10SLKGSK3BCLK2GSK3A
SCHEMBL3670733 0.70 NR1H2 (0.49)
SCHEMBL8890003 0.69 MYC (0.49) GSK3BGSK3A
SCHEMBL9064980 0.68 GSK3B (0.39) STK10SLKGSK3BGSK3ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556203-B1 (POLY)SULFIDE CONTAINING POLYCITRACONIMIDES AND POLYITACONIMIDES AKZO NOBEL NV (NL) 1995-10-11 EP disclosed
US-5405918-A Accelerators for sulfur-vulcanization of rubber; tires AKZO NOBEL N.V. (NL) 1995-04-11 US disclosed
EP-0640114-A1 SULFUR-VULCANIZED RUBBER COMPOSITION Akzo Nobel N.V. (NL) 1995-03-01 EP disclosed
WO-1993023467-A1 SULFUR-VULCANIZED RUBBER COMPOSITION AKZO NOBEL N.V. (NL) 1993-11-25 WO disclosed