SCHEMBL6985491

SCHEMBL6985491

C[C@@H](CCS(=O)(=O)Cc1cnc2ccccc2c1)N(C=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
CYP1A2 P05177 1/20 0.34
MMP9 P14780 2/20 0.34
MMP1 P03956 1/20 0.34
FCER2 P06734 1/20 0.34
MMP3 P08254 1/20 0.34
PDE10A Q9Y233 4/20 0.33
MMP2 P08253 2/20 0.33
MMP13 P45452 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 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
SCHEMBL6982449 0.94 HIF1A (0.35) HIF1AEPAS1CYP1A2MMP9MMP1
SCHEMBL6988861 0.83 MMP2 (0.38) HIF1AEPAS1CYP1A2MMP9MMP1
SCHEMBL6988858 0.83 MMP2 (0.38) HIF1AEPAS1CYP1A2MMP9MMP1
SCHEMBL6399028 0.83 HIF1A (0.35) HIF1AEPAS1CYP1A2MMP9MMP1
SCHEMBL6606815 0.83 PDE10A (0.36) HIF1AEPAS1CYP1A2MMP9MMP1
SCHEMBL6607311 0.82 HIF1A (0.36) HIF1AEPAS1CYP1A2MMP9MMP1
SCHEMBL6077244 0.82 HIF1A (0.36) HIF1AEPAS1CYP1A2PDE10AKMT2A
SCHEMBL6662759 0.82 HIF1A (0.36) HIF1AEPAS1CYP1A2PDE10AMMP2
SCHEMBL6985833 0.81 PDE10A (0.34) HIF1AEPAS1MMP9MMP1FCER2
SCHEMBL6979519 0.81 PDE10A (0.34) HIF1AEPAS1MMP9MMP1FCER2

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