SCHEMBL6989991

SCHEMBL6989991

C[C@@H](CCCSCc1cnc2ccccc2c1)N(C=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC3 O15379 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC9 Q9UKV0 3/20 0.34
HDAC5 Q9UQL6 3/20 0.34
PDE10A Q9Y233 8/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 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

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
SCHEMBL6979519 0.94 PDE10A (0.34) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6985833 0.94 PDE10A (0.34) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6982449 0.82 HIF1A (0.35) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6400676 0.82 PDE10A (0.34) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6608514 0.82 PDE10A (0.37) PDE10AHIF1AEPAS1KMT2AKDM4E
SCHEMBL6608790 0.81 PDE10A (0.34) PDE10AHIF1AEPAS1KMT2AKDM4E
SCHEMBL6078553 0.81 PDE10A (0.35) PDE10AHIF1AEPAS1KMT2AKDM4E
SCHEMBL6661883 0.81 PDE10A (0.35) PDE10AHIF1AEPAS1KMT2AKDM4E
SCHEMBL6605020 0.80 PDE10A (0.33) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6985491 0.80 HIF1A (0.36) HDAC4HDAC1HDAC3HDAC7HDAC2

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-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed