SCHEMBL8147602

SCHEMBL8147602

CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)O)c(Cc3cccc4ccccc34)sc21.[Li]CCCC

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 20/20 0.61
CYP2C9 P11712 10/20 0.61
MAPKAPK2 P49137 1/20 0.61
CAMK2B Q13554 1/20 0.61
HIPK4 Q8NE63 1/20 0.61
CYP3A4 P08684 7/20 0.51
SLC16A7 O60669 1/20 0.49

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
SCHEMBL5864670 0.93 SLC16A1 (0.67) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5865122 0.85 SLC16A1 (0.66) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864659 0.82 SLC16A1 (0.61) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864658 0.81 SLC16A1 (0.75) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL3829554 0.81 SLC16A1 (0.74) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL3826855 0.81 SLC16A1 (0.60) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864722 0.81 SLC16A1 (0.59) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864688 0.80 SLC16A1 (0.65) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL3826720 0.80 SLC16A1 (0.73) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL3826712 0.80 SLC16A1 (0.73) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4

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-0991653-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-04-12 EP disclosed
WO-1998054190-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-12-03 WO disclosed