SCHEMBL6661883

SCHEMBL6661883

CO[C@@H](CSCc1cnc2ccccc2c1)[C@H](C)N(C=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.33
MMP1 P03956 1/20 0.32
FCER2 P06734 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
FAAH O00519 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SCN9A Q15858 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CGAS Q8N884 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
SCHEMBL6078553 0.86 PDE10A (0.35) PDE10AKDM4EKMT2ASMN1; SMN2HIF1A
SCHEMBL6987551 0.85 PDE10A (0.35) PDE10AKDM4EKMT2ASMN1; SMN2HIF1A
SCHEMBL6399015 0.83 KDM4E (0.34) PDE10AKDM4EKMT2ASMN1; SMN2HIF1A
SCHEMBL6608514 0.83 PDE10A (0.37) PDE10AKDM4EKMT2ASMN1; SMN2HIF1A
SCHEMBL6608790 0.83 PDE10A (0.34) PDE10AKDM4EKMT2ASMN1; SMN2HIF1A
SCHEMBL6662759 0.83 HIF1A (0.36) PDE10AKDM4EKMT2ASMN1; SMN2HIF1A
SCHEMBL6979519 0.82 PDE10A (0.34) PDE10AKDM4EKMT2ASMN1; SMN2HIF1A
SCHEMBL6985833 0.82 PDE10A (0.34) PDE10AKDM4EKMT2ASMN1; SMN2HIF1A
SCHEMBL6605020 0.82 PDE10A (0.33) PDE10AKDM4EKMT2ASMN1; SMN2HIF1A
SCHEMBL6400676 0.82 PDE10A (0.34) PDE10AKDM4EKMT2ASMN1; SMN2HIF1A

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-1448529-A1 SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND ALLERGIES SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
WO-2003045922-A1 SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND ALLERGIES SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 WO disclosed