SCHEMBL6987901

SCHEMBL6987901

CC(CCS(=O)(=O)Cc1cnc2ccccc2c1)N(O)CC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NCC#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
MMP13 P45452 1/20 0.35
CYP1A2 P05177 1/20 0.33
DPP4 P27487 1/20 0.33
MMP9 P14780 2/20 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
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP1 P03956 1/20 0.31
FCER2 P06734 1/20 0.31
MMP3 P08254 1/20 0.31
FAAH O00519 5/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
LMNA P02545 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
SCHEMBL6403783 0.87 MMP2 (0.34) MMP2MMP13CYP1A2DPP4ACACB
SCHEMBL6404062 0.83 CYP1A2 (0.38) MMP2MMP13CYP1A2ACACBHIF1A
SCHEMBL6404069 0.83 CYP1A2 (0.38) MMP2MMP13CYP1A2ACACBHIF1A
SCHEMBL6987897 0.83 MMP2 (0.35) MMP2MMP13CYP1A2MMP9MMP8
SCHEMBL6607771 0.81 MMP2 (0.38) MMP2MMP13CYP1A2MMP9MMP8
SCHEMBL6607764 0.81 MMP2 (0.38) MMP2MMP13CYP1A2MMP9MMP8
SCHEMBL6609601 0.81 CYP1A2 (0.39) MMP2CYP1A2MMP9MMP8ACACB
SCHEMBL6609609 0.81 CYP1A2 (0.39) MMP2CYP1A2MMP9MMP8ACACB
SCHEMBL6985277 0.80 MMP2 (0.33) MMP2MMP13CYP1A2MMP9MMP8
SCHEMBL6754693 0.79 MMP2 (0.40) MMP2MMP13CYP1A2MMP9MMP8

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