SCHEMBL7314034

SCHEMBL7314034

O=C(CC(Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
ALPL P05186 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.42
ALB P02768 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL7314006 1.00 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL7314012 1.00 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL7314023 0.87 MEN1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL7317378 0.85 CA2 (0.45)
SCHEMBL7317352 0.85 CA2 (0.45)
SCHEMBL7317343 0.85 CA2 (0.45)
SCHEMBL7307744 0.82 MME (0.49)
SCHEMBL7322360 0.82 MME (0.49)
SCHEMBL7307711 0.82 MME (0.49)
SCHEMBL7307690 0.82 MME (0.49)

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-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed