SCHEMBL13716773

SCHEMBL13716773

CC(C)(C)[S+]([O-])NCCCCC(=O)Nc1ccc2sccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC8 Q9BY41 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC3 O15379 3/20 0.37

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
SCHEMBL10113639 0.80 MEN1 (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL13716454 0.79 HDAC1 (0.51) RAB9ANPC1SMN1; SMN2LMNAHDAC1
SCHEMBL13973368 0.78 RAB9A (0.57) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL13972780 0.77 HDAC3 (0.55) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL13716737 0.76 HDAC6 (0.60) MEN1KMT2ANPC1ALDH1A1HDAC1
SCHEMBL10113904 0.75 MEN1 (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL10113379 0.75 HDAC1 (0.57) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL10112840 0.73 HPGD (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC1
SCHEMBL10113004 0.73 HPGD (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC1
SCHEMBL14137556 0.72 MAPT (0.50) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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-1249233-B9 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2009-08-05 EP disclosed
EP-1249233-B1 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2008-08-20 EP disclosed