SCHEMBL7428381

SCHEMBL7428381

CC(C)C[C@H](NCC(C(=O)O)C(=O)Nc1nc(-c2ccccc2)cs1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
STAT3 P40763 1/20 0.53
MRE11 P49959 1/20 0.52
CAPN1 P07384 2/20 0.52
MAPT P10636 3/20 0.51
ELOVL1 Q9BW60 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GSTO1 P78417 1/20 0.48
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
SLC12A2 P55011 1/20 0.47
SLC12A5 Q9H2X9 1/20 0.47

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
SCHEMBL7424422 1.00 MEN1 (0.53) MEN1KMT2ASTAT3MRE11CAPN1
SCHEMBL7424619 0.83 MRE11 (0.46) MEN1KMT2ASTAT3MRE11CAPN1
SCHEMBL21241786 0.81 HDAC6 (0.61) MEN1KMT2ASTAT3MRE11CAPN1
SCHEMBL22971723 0.81 HDAC6 (0.61) MEN1KMT2ASTAT3MRE11CAPN1
SCHEMBL21241768 0.80 SCD (0.60) MEN1KMT2ASTAT3CAPN1MAPT
SCHEMBL21241787 0.80 SCD (0.60) MEN1KMT2ASTAT3CAPN1MAPT
SCHEMBL5869395 0.79 MEN1 (0.60) MEN1KMT2ASTAT3MAPTELOVL1
SCHEMBL5869382 0.79 MEN1 (0.60) MEN1KMT2ASTAT3MAPTELOVL1
SCHEMBL5869368 0.79 MEN1 (0.60) MEN1KMT2ASTAT3MAPTELOVL1
SCHEMBL7426239 0.79 MEN1 (0.43) MEN1KMT2ASTAT3CAPN1MAPT

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed