SCHEMBL6589693

SCHEMBL6589693

COc1cc(NCNC(=O)C2CCCCC2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6607445 0.72 SLC2A1 (0.54) SLC2A1SMN1; SMN2ALOX15GAAHPGD
SCHEMBL6607938 0.71 SLC2A1 (0.62) SLC2A1SMN1; SMN2ALOX15GAAHPGD
SCHEMBL196199 0.71 NPC1 (0.52) SMN1; SMN2GAAHPGDNPC1RAB9A
SCHEMBL6606773 0.71 SLC2A1 (0.71) SLC2A1KMT2ASMN1; SMN2ALOX15HPGD
SCHEMBL7811044 0.70 SLC2A1 (0.54) SLC2A1KMT2ASMN1; SMN2ALOX15HPGD
SCHEMBL1973638 0.70 NPC1 (0.56) KMT2ASMN1; SMN2GAAHPGDNPC1
SCHEMBL13646344 0.70 HTT (0.60) KMT2ASMN1; SMN2GAAHPGDNPC1
SCHEMBL13036676 0.70 ALOX15 (0.60) SLC2A1KMT2ASMN1; SMN2ALOX15GAA
SCHEMBL6606672 0.70 SLC2A1 (0.70) SLC2A1KMT2ASMN1; SMN2ALOX15GAA
SCHEMBL6605280 0.70 SLC2A1 (0.50) SLC2A1KMT2ASMN1; SMN2ALOX15HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359915-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM (US) 2004-07-21 EP disclosed
EP-1351687-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-01-21 EP disclosed
EP-1359915-A1 UROTENSIN-II RECEPTOR ANTAGONISTS Smithkline Beecham (US) 2003-11-12 EP disclosed
EP-1351687-A2 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-15 EP disclosed
WO-2002058702-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (GB) 2002-08-01 WO disclosed
WO-2002047456-A2 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-06-20 WO disclosed