SCHEMBL6608514

SCHEMBL6608514

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.37
MMP9 P14780 2/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 1/20 0.32
FCER2 P06734 1/20 0.32
MMP3 P08254 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
SCN9A Q15858 1/20 0.32
CCR1 P32246 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
SCHEMBL6608790 0.90 PDE10A (0.34) PDE10AMMP9HIF1AEPAS1KDM4E
SCHEMBL6605020 0.89 PDE10A (0.33) PDE10AMMP9HIF1AEPAS1KDM4E
SCHEMBL6399015 0.88 KDM4E (0.34) PDE10AMMP9HIF1AEPAS1KDM4E
SCHEMBL6400676 0.88 PDE10A (0.34) PDE10AMMP9HIF1AEPAS1KDM4E
SCHEMBL6404687 0.85 MMP2 (0.30) MMP9MMP2MMP8
SCHEMBL6661883 0.83 PDE10A (0.35) PDE10AMMP9HIF1AEPAS1KDM4E
SCHEMBL6078553 0.83 PDE10A (0.35) PDE10AMMP9HIF1AEPAS1KDM4E
SCHEMBL6987834 0.83 HIF1A (0.30) HIF1AEPAS1
SCHEMBL6985833 0.83 PDE10A (0.34) PDE10AMMP9HIF1AEPAS1KDM4E
SCHEMBL6979519 0.83 PDE10A (0.34) PDE10AMMP9HIF1AEPAS1KDM4E

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-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed