SCHEMBL8085529

SCHEMBL8085529

CCC(=O)c1c(N)cccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
FOLH1 Q04609 1/20 0.43
KMT2A Q03164 4/20 0.41
BCAT2 O15382 1/20 0.41
DPP4 P27487 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HNF4A P41235 1/20 0.39
MEN1 O00255 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 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
SCHEMBL9559838 0.82 CYP3A4 (0.43) MAPTSMN1; SMN2L3MBTL1ALDH1A1HSD17B10
SCHEMBL3787580 0.81 HSD17B10 (0.52) MAPTSMN1; SMN2ALDH1A1HSD17B10FOLH1
SCHEMBL1535068 0.80 ALDH1A1 (0.56) L3MBTL1ALDH1A1HSD17B10FOLH1KMT2A
SCHEMBL31212993 0.80 ALDH1A1 (0.56) L3MBTL1ALDH1A1HSD17B10FOLH1KMT2A
SCHEMBL9683905 0.80 ALDH1A1 (0.55) MAPTSMN1; SMN2L3MBTL1ALDH1A1HSD17B10
SCHEMBL1250167 0.79 BCAT2 (0.55) MAPTL3MBTL1ALDH1A1HSD17B10FOLH1
SCHEMBL8820705 0.78 FOLH1 (0.52) MAPTSMN1; SMN2L3MBTL1ALDH1A1FOLH1
SCHEMBL28019734 0.78 ALDH1A1 (0.50) MAPTL3MBTL1ALDH1A1HSD17B10FOLH1
SCHEMBL12998049 0.77 ALDH1A1 (0.59) MAPTSMN1; SMN2ALDH1A1HSD17B10KMT2A
SCHEMBL16173998 0.77 FOLH1 (0.50) MAPTSMN1; SMN2L3MBTL1ALDH1A1FOLH1

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-6034211-A β-sheet nucleating peptidomimetics KELLY JEFFERY W (US) 2000-03-07 US disclosed