SCHEMBL5159229

SCHEMBL5159229

CCCN(C)C(=O)c1cc(C(=O)O)cc(N(C)S(C)(=O)=O)c1.CCCN(C)C(=O)c1cc(N)cc(C(=O)OC)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BACE1 P56817 13/20 0.36
MAPT P10636 1/20 0.33
CTSD P07339 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.32
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3855873 0.90 KDM4E (0.44) KMT2AL3MBTL1MEN1LMNATSHR
SCHEMBL3863169 0.87 RAB9A (0.38) KMT2AMEN1KDM4EBACE1CTSD
SCHEMBL3854478 0.84 LMNA (0.42) KMT2AL3MBTL1MEN1LMNAKDM4E
SCHEMBL165562 0.82 KDM4E (0.51) KMT2AL3MBTL1MEN1LMNATSHR
SCHEMBL5156755 0.81 MEN1 (0.39) KMT2AL3MBTL1MEN1LMNAKDM4E
SCHEMBL3445965 0.80 KDM4E (0.50) KMT2AL3MBTL1MEN1LMNATSHR
SCHEMBL13229603 0.77 LMNA (0.46) KMT2AL3MBTL1MEN1LMNATSHR
SCHEMBL475760 0.76 KDM4E (0.56) KMT2AL3MBTL1MEN1LMNATSHR
SCHEMBL2215353 0.76 L3MBTL1 (0.43) KMT2AL3MBTL1MEN1LMNATSHR
SCHEMBL4373510 0.74 LMNA (0.36) KMT2AL3MBTL1MEN1LMNAKDM4E

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-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed