SCHEMBL7873367

SCHEMBL7873367

NC(=O)c1nnc(NC(=O)[CH]CCCCNC(=O)OCc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
GLS O94925 2/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
ANPEP P15144 1/20 0.43
LMNA P02545 1/20 0.42
FAAH O00519 1/20 0.41
DPP8 Q6V1X1 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
BRD4 O60885 1/20 0.40
DPP4 P27487 1/20 0.40
DPP9 Q86TI2 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
FOLH1 Q04609 1/20 0.39

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
SCHEMBL7868121 0.82 MAPK1 (0.50) TGM2SMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL7868065 0.79 MAPK1 (0.48) TGM2SMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL7873416 0.77 ANPEP (0.49) TGM2SMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL28085520 0.74 TGM2 (0.67) TGM2SMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL7976783 0.73 TGM2 (0.65) TGM2SMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL18254066 0.72 HTT (0.81) TGM2SMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL7348870 0.72 TGM2 (0.61) TGM2SMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL3725943 0.71 HTT (0.67) TGM2SMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL9874334 0.71 HTT (0.79) TGM2SMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL15346534 0.71 HTT (0.79) TGM2SMN1; SMN2HTTKEAP1NFE2L2

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
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed