SCHEMBL7036833

SCHEMBL7036833

Cc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(OS(C)(=O)=O)cc34)cc3cccnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
PCSK9 Q8NBP7 3/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
HTR6 P50406 3/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
ENPP3 O14638 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34
EED O75530 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1779630 0.91 HTR6 (0.44) L3MBTL1PTGDR2HTR6GSK3BEED
SCHEMBL1777841 0.91 L3MBTL1 (0.41) L3MBTL1PCSK9PTGDR2HTR6CCNE1
SCHEMBL1777351 0.86 KDM4E (0.45) L3MBTL1PCSK9PTGDR2HTR6CCNE1
SCHEMBL1779371 0.86 PSEN1 (0.44) L3MBTL1PCSK9PTGDR2HTR6CCNE1
SCHEMBL1778220 0.86 L3MBTL1 (0.40) L3MBTL1PCSK9PTGDR2HTR6CCNE1
SCHEMBL6140206 0.86 L3MBTL1 (0.47) L3MBTL1PCSK9PTGDR2HTR6CCNE1
SCHEMBL12606428 0.85 L3MBTL1 (0.40) L3MBTL1PCSK9PTGDR2HTR6CCNE1
SCHEMBL1779250 0.85 L3MBTL1 (0.40) L3MBTL1PCSK9PTGDR2HTR6CCNE1
SCHEMBL1777336 0.85 L3MBTL1 (0.46) L3MBTL1PCSK9PTGDR2CCNE1CDK2
SCHEMBL1778092 0.84 L3MBTL1 (0.39) L3MBTL1PCSK9PTGDR2HTR6CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 WO disclosed