SCHEMBL5397126

SCHEMBL5397126

CCOC(=O)/C=C/c1cn(Cc2ccc(OCc3ccccc3)cc2)nc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
PKM P14618 1/20 0.54
PTGS1 P23219 2/20 0.52
PTGS2 P35354 2/20 0.52
RAB9A P51151 3/20 0.49
LMNA P02545 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
NR1H4 Q96RI1 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
DUSP3 P51452 1/20 0.43
PLK1 P53350 1/20 0.42

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
SCHEMBL5381942 0.94 SMN1; SMN2 (0.58) GAASMN1; SMN2MEN1KMT2APKM
SCHEMBL5376871 0.89 PTGDR2 (0.47) GAASMN1; SMN2MEN1KMT2APKM
SCHEMBL5376722 0.88 GAA (0.79) GAASMN1; SMN2MEN1KMT2APKM
SCHEMBL5376726 0.88 GAA (0.79) GAASMN1; SMN2MEN1KMT2APKM
SCHEMBL5377143 0.83 MEN1 (0.49) GAASMN1; SMN2MEN1KMT2APKM
SCHEMBL5383037 0.82 GAA (0.68) GAASMN1; SMN2MEN1KMT2APKM
SCHEMBL5383039 0.82 GAA (0.68) GAASMN1; SMN2MEN1KMT2APKM
SCHEMBL5374877 0.82 NR1H4 (0.45) SMN1; SMN2MEN1KMT2APTGS1PTGS2
SCHEMBL5377556 0.81 KMT2A (0.52) SMN1; SMN2MEN1KMT2ARAB9ALMNA
SCHEMBL5397128 0.81 GAA (0.52) GAASMN1; SMN2MEN1KMT2APKM

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-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed