SCHEMBL7426239

SCHEMBL7426239

CC(C)CC(NCC(C(=O)O)c1nc(-c2ccccc2)cs1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
STAT3 P40763 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
CTSK P43235 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ELOVL1 Q9BW60 1/20 0.39
PTPRB P23467 1/20 0.39
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL7425602 0.93 ROCK1 (0.41) MEN1KMT2ASTAT3CAPN1
SCHEMBL7424812 0.88 SMN1; SMN2 (0.34) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL7426448 0.87 GRN (0.44) MEN1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL4714130 0.86 MEN1 (0.46) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL1655302 0.80 CTSK (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7424422 0.79 MEN1 (0.53) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL7428381 0.79 MEN1 (0.53) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL7417318 0.77 CNR2 (0.40) CNR2ALDH1A1GRNSORT1
SCHEMBL4714372 0.76 PARP1 (0.48) MEN1KMT2ASTAT3NPC1RAB9A
SCHEMBL4714808 0.76 CTSK (0.66) CTSK

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