SCHEMBL7314023

SCHEMBL7314023

O=C(CC(Cc1ccccc1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
REN P00797 10/20 0.48
MAPK1 P28482 1/20 0.47
AGTR2 P50052 1/20 0.46
MME P08473 1/20 0.45
ECE1 P42892 1/20 0.45
CTSE P14091 1/20 0.45
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7314034 0.87 ALDH1A1 (0.51) MEN1ALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL7314006 0.87 ALDH1A1 (0.51) MEN1ALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL7314012 0.87 ALDH1A1 (0.51) MEN1ALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL7317366 0.85 CA2 (0.56) RENAGTR2MMEECE1
SCHEMBL7322345 0.81 MME (0.59) RENAGTR2MMEECE1
SCHEMBL7307725 0.81 MME (0.59) RENAGTR2MMEECE1
SCHEMBL7347178 0.80 AGTR2 (0.55) RENAGTR2MMEECE1
SCHEMBL7314274 0.80 MRGPRX4 (0.56) RENAGTR2MMEECE1
SCHEMBL7314528 0.80 MRGPRX4 (0.56) RENAGTR2MMEECE1
SCHEMBL7323329 0.79 BIRC2 (0.53) MEN1ALDH1A1KMT2ASMN1; SMN2MAPK1

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