SCHEMBL6985277

SCHEMBL6985277

CC(CC(CS(=O)(=O)Cc1cnc2ccccc2c1)NCC#N)CN(O)C(C)CC(C)CS(=O)(=O)Cc1cnc2ccccc2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.33
MMP13 P45452 1/20 0.33
CYP1A2 P05177 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
ACACB O00763 1/20 0.32
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL6754696 0.89 MMP2 (0.34) MMP2MMP13CYP1A2MMP9MMP8
SCHEMBL6607771 0.85 MMP2 (0.38) MMP2MMP13CYP1A2MMP9MMP8
SCHEMBL6607764 0.85 MMP2 (0.38) MMP2MMP13CYP1A2MMP9MMP8
SCHEMBL6754693 0.82 MMP2 (0.40) MMP2MMP13CYP1A2MMP9MMP8
SCHEMBL6609601 0.81 CYP1A2 (0.39) MMP2CYP1A2MMP9MMP8ACACB
SCHEMBL6609609 0.81 CYP1A2 (0.39) MMP2CYP1A2MMP9MMP8ACACB
SCHEMBL6987901 0.80 MMP2 (0.35) MMP2MMP13CYP1A2MMP9MMP8
Hydrochloric Acid SCHEMBL6428763 0.79 CYP1A2 (0.36) MMP2MMP13CYP1A2MMP9MMP8
SCHEMBL6404069 0.79 CYP1A2 (0.38) MMP2MMP13CYP1A2ACACBHIF1A
SCHEMBL6404062 0.79 CYP1A2 (0.38) MMP2MMP13CYP1A2ACACBHIF1A

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