SCHEMBL8143273

SCHEMBL8143273

CCN(CC)CC.CCOC(=O)c1cc(Cc2ccccc2)sc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.60
MAPK1 P28482 1/20 0.60
MAPT P10636 9/20 0.57
ALDH1A1 P00352 8/20 0.57
HSD17B10 Q99714 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 4/20 0.57
ALOX15 P16050 3/20 0.57
RAB9A P51151 3/20 0.57
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 2/20 0.48
TSHR P16473 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
GRM6 O15303 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5864698 0.94 GAA (0.68) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL3113232 0.83 GAA (0.66) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL1564819 0.81 MAPT (0.59) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL5864713 0.81 GAA (0.63) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL5422196 0.78 ALOX15 (0.51) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL5865211 0.76 ALOX15 (0.56) GAAMAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL1973680 0.76 GAA (1.00) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL23827481 0.76 GAA (0.56) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL1973534 0.76 GAA (0.56) GAAMAPK1MAPTALDH1A1HSD17B10
SCHEMBL5864678 0.75 GAA (0.59) GAAMAPK1MAPTALDH1A1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991653-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-04-12 EP disclosed
WO-1998054190-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-12-03 WO disclosed