SCHEMBL7609410

SCHEMBL7609410

CC(C)(C)OC(=O)NCCC(O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
METAP1 P53582 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ADAM17 P78536 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
ATM Q13315 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
BCHE P06276 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
SCHEMBL6502917 1.00 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AGAAMETAP1
SCHEMBL6492075 1.00 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AGAAMETAP1
SCHEMBL30416126 0.85 MEN1 (0.47) L3MBTL1MEN1KMT2AGAAMETAP1
SCHEMBL30415110 0.84 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AGAAMETAP1
SCHEMBL6674923 0.81 ADAM17 (0.43) L3MBTL1MEN1KMT2AGAAADAM17
SCHEMBL2084864 0.80 L3MBTL1 (0.53) L3MBTL1MEN1KMT2AGAAMETAP1
SCHEMBL20799996 0.77 ABCB1 (0.43) L3MBTL1MEN1KMT2AGAATDP1
SCHEMBL20309177 0.76 GBA1 (0.38) METAP1
SCHEMBL3654698 0.76 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AGAAMETAP1
SCHEMBL21751628 0.75 MEN1 (0.47) L3MBTL1MEN1KMT2AGAATDP1

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-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 WO disclosed