SCHEMBL4238951

SCHEMBL4238951

O=C1CCCCC1=NNc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.65
MAPT P10636 10/20 0.65
ALDH1A1 P00352 9/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
RAB9A P51151 6/20 0.63
GFER P55789 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.36

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
SCHEMBL4238950 1.00 GAA (0.65) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL13693824 1.00 GAA (0.65) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL21114872 0.83 MAPT (0.65) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL21114874 0.83 MAPT (0.65) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL21114857 0.83 ALDH1A1 (0.65) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL21114859 0.83 ALDH1A1 (0.65) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL13624627 0.82 GAA (0.65) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL4904047 0.82 GAA (0.65) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL4904052 0.82 GAA (0.65) GAAMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL22529440 0.81 MAPT (0.66) GAAMAPTALDH1A1L3MBTL1RAB9A

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-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 WO disclosed