SCHEMBL7868121

SCHEMBL7868121

NC(=O)c1csc(NC(=O)[CH]CCCCNC(=O)OCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
TGM2 P21980 1/20 0.48
HTT P42858 1/20 0.47
HDAC6 Q9UBN7 3/20 0.45
FOLH1 Q04609 5/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
ANPEP P15144 1/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
STING1 Q86WV6 2/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL7868065 0.97 MAPK1 (0.48) MAPK1TGM2HTTHDAC6FOLH1
SCHEMBL5057159 0.88 MAPK1 (0.39) MAPK1TGM2HDAC6HDAC3HDAC4
SCHEMBL7873367 0.82 TGM2 (0.49) MAPK1TGM2HTTFOLH1ANPEP
SCHEMBL7874778 0.80 HDAC3 (0.48) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL7873416 0.76 ANPEP (0.49) TGM2HTTANPEPKEAP1NFE2L2
SCHEMBL7976783 0.74 TGM2 (0.65) TGM2HTTFOLH1ANPEPKEAP1
SCHEMBL28085520 0.73 TGM2 (0.67) TGM2HTTFOLH1KEAP1NFE2L2
SCHEMBL7879205 0.73 EPHX2 (0.38) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL6056911 0.72 PDE5A (0.46) HTTHDAC6HDAC3HDAC4HDAC1
SCHEMBL10422737 0.72 HTT (0.73) TGM2HTTFOLH1ANPEPKEAP1

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