SCHEMBL8772464

SCHEMBL8772464

O=C1CCN1CCCC(SCc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ADRA1B P35368 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8766975 0.84 ADRA1B (0.44) KMT2AMEN1ADRA1BNPC1RAB9A
SCHEMBL8772451 0.79 LMNA (0.40) KMT2AMEN1L3MBTL1
SCHEMBL8772367 0.72 LMNA (0.43) KMT2AMEN1L3MBTL1
SCHEMBL10875798 0.72 ADRA1B (0.61) KMT2AMEN1ADRA1BNPC1RAB9A
SCHEMBL11513541 0.70 NPC1 (0.58) KMT2AMEN1NPC1RAB9ASLC6A3
SCHEMBL7083850 0.67 PKM (0.39) KMT2AMEN1NPC1RAB9ASLC6A2
SCHEMBL8766682 0.67 MEN1 (0.46) KMT2AMEN1ADRA1BNPC1RAB9A
SCHEMBL8772426 0.66 TRPA1 (0.41)
SCHEMBL7389188 0.66 L3MBTL1 (0.73) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL4036783 0.66 PKM (0.57) KMT2AMEN1NPC1RAB9ASLC6A2

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
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed