SCHEMBL10705462

SCHEMBL10705462

CCOC(=O)c1cc(CC(C)C)sc1N=C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 10/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 10/20 0.42
LMNA P02545 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 3/20 0.42
RECQL P46063 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALOX15 P16050 2/20 0.37
RAB9A P51151 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
HIF1A Q16665 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
SCHEMBL10713073 0.87 GAA (0.62) GAAMAPK1MAPTKDM4EALDH1A1
SCHEMBL10714402 0.82 GAA (0.43) GAAMAPK1MAPTKDM4EALDH1A1
SCHEMBL10713138 0.81 MAPT (0.53) GAAMAPK1MAPTKDM4EALDH1A1
SCHEMBL1604941 0.80 GAA (0.73) GAAMAPK1MAPTKDM4EALDH1A1
SCHEMBL3099361 0.77 GAA (0.52) GAAMAPK1MAPTKDM4EALDH1A1
SCHEMBL5732298 0.77 GAA (0.49) GAAMAPK1MAPTKDM4EALDH1A1
SCHEMBL10713757 0.74 ALDH1A1 (0.48) GAAMAPK1MAPTKDM4EALDH1A1
SCHEMBL10707773 0.73 ALDH1A1 (0.67) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL10705604 0.70 TSHR (0.46) GAAMAPK1MAPTKDM4EALDH1A1
SCHEMBL5082925 0.67 ALDH1A1 (0.50) GAAMAPK1MAPTKDM4EALDH1A1

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
EP-0202538-B1 GROWTH PROMOTING AGENTS BAYER AG (DE) 1988-12-28 EP disclosed