SCHEMBL8207353

SCHEMBL8207353

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 1/20 0.46
PIK3CG P48736 2/20 0.44
PIK3CA P42336 1/20 0.44
BRD4 O60885 1/20 0.43
ASH1L Q9NR48 1/20 0.43
KIF11 P52732 1/20 0.42
ESRRA P11474 4/20 0.41
CYP3A4 P08684 2/20 0.41
PARP1 P09874 3/20 0.40
CSNK2A1 P68400 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
EIF2AK2 P19525 1/20 0.39
PDGFRB P09619 1/20 0.38

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
SCHEMBL8207351 1.00 PIM1 (0.48) PIM1TDP1NPC1PIK3CGPIK3CA
SCHEMBL1248926 0.89 PIM1 (0.62) PIM1TDP1NPC1PIK3CGPIK3CA
SCHEMBL12891971 0.89 PIM1 (0.62) PIM1TDP1NPC1PIK3CGPIK3CA
SCHEMBL1248927 0.89 PIM1 (0.62) PIM1TDP1NPC1PIK3CGPIK3CA
SCHEMBL8197811 0.85 PIM1 (0.48) PIM1NPC1PIK3CGPIK3CAASH1L
SCHEMBL8197809 0.85 PIM1 (0.48) PIM1NPC1PIK3CGPIK3CAASH1L
SCHEMBL8209418 0.75 NTRK1 (0.48) TDP1NPC1PIK3CAPDGFRB
SCHEMBL8209417 0.75 NTRK1 (0.48) TDP1NPC1PIK3CAPDGFRB
SCHEMBL212820 0.75 PLG (0.61) PIM1NPC1ASH1LKIF11PARP1
SCHEMBL1247737 0.74 HPGD (0.46) PIM1NPC1PIK3CGPIK3CA

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