SCHEMBL8077417

SCHEMBL8077417

CC(C)CC(=O)NCc1cscn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
CTSK P43235 1/20 0.43
HTT P42858 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
GPR142 Q7Z601 2/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PDE10A Q9Y233 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4779863 0.81 LMNA (0.44) CTSKKDM4CGPR142ALDH1A1SMN1; SMN2
SCHEMBL6099838 0.78 NPSR1 (0.52) CTSKKDM4CGPR142ALDH1A1SMN1; SMN2
SCHEMBL20769320 0.77 MAPK1 (0.44) CTSKKDM4CGPR142ALDH1A1SMN1; SMN2
SCHEMBL17025004 0.75 KDM4C (0.51) CTSKKDM4CGPR142ALDH1A1ADORA2A
SCHEMBL17038776 0.75 PDE10A (0.45) CTSKKDM4CGPR142ALDH1A1SMN1; SMN2
SCHEMBL9079443 0.74 KDM4C (0.42) HPGDCTSKKDM4CGPR142SMN1; SMN2
SCHEMBL30223118 0.74 KDM4C (0.47) CTSKKDM4CGPR142ADORA2AADORA1
SCHEMBL7281500 0.74 EPHX2 (0.52) CTSK
SCHEMBL12265803 0.73 KDM4C (0.43) CTSKKDM4CGPR142ALDH1A1SMN1; SMN2
SCHEMBL13774772 0.73 ALDH1A1 (0.67) HPGDALDH1A1SMN1; SMN2CYP1A2ALOX15

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-2009061448-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2009-05-14 WO disclosed