SCHEMBL8197811

SCHEMBL8197811

COC(=O)c1ccc2c(C=C3SC(=N)NC3=O)c[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
NPC1 O15118 1/20 0.46
PIK3CG P48736 2/20 0.44
PIK3CA P42336 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ASH1L Q9NR48 1/20 0.43
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41
CDK2 P24941 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ESRRA P11474 3/20 0.41
CYP3A4 P08684 2/20 0.41
XDH P47989 1/20 0.40
MRE11 P49959 1/20 0.40
PARP1 P09874 2/20 0.40
KIF11 P52732 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL8197809 1.00 PIM1 (0.48) PIM1NPC1PIK3CGPIK3CAPOLB
SCHEMBL1248926 0.89 PIM1 (0.62) PIM1NPC1PIK3CGPIK3CAPOLB
SCHEMBL1248927 0.89 PIM1 (0.62) PIM1NPC1PIK3CGPIK3CAPOLB
SCHEMBL12891971 0.89 PIM1 (0.62) PIM1NPC1PIK3CGPIK3CAPOLB
SCHEMBL8207353 0.85 PIM1 (0.48) PIM1NPC1PIK3CGPIK3CAASH1L
SCHEMBL8207351 0.85 PIM1 (0.48) PIM1NPC1PIK3CGPIK3CAASH1L
SCHEMBL8205587 0.76 NPC1 (0.47) NPC1MEN1KMT2AASH1LPARP1
SCHEMBL8205583 0.76 NPC1 (0.47) NPC1MEN1KMT2AASH1LPARP1
SCHEMBL8204792 0.76 POLB (0.58) PIM1NPC1PIK3CGPIK3CAPOLB
SCHEMBL8204790 0.76 POLB (0.58) PIM1NPC1PIK3CGPIK3CAPOLB

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
WO-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed