SCHEMBL6965742

SCHEMBL6965742

O=C1CC(C(S)c2ncccn2)N1C(=O)N1CCCC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.44
SCD5 Q86SK9 4/20 0.43
F11 P03951 3/20 0.40
EPHX2 P34913 2/20 0.40
SCD O00767 5/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HSD11B1 P28845 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL6977778 0.76 NPC1 (0.31)
SCHEMBL6977968 0.74 RIPK1 (0.43) RIPK1SCD5F11EPHX2SCD
SCHEMBL6965747 0.74 RIPK1 (0.43) RIPK1SCD5F11EPHX2SCD
SCHEMBL23009636 0.71 RIPK1 (0.49) RIPK1F11EPHX2HSP90AA1HSP90AB1
SCHEMBL4019469 0.69 RIPK1 (0.62) RIPK1SCD5EPHX2SCDHSP90AA1
SCHEMBL4776278 0.68 RIPK1 (0.65) RIPK1SCD5EPHX2SCDHSP90AA1
SCHEMBL1847627 0.67 RIPK1 (0.69) RIPK1SCD5EPHX2SCDHSP90AA1
SCHEMBL1853141 0.67 RIPK1 (0.69) RIPK1SCD5EPHX2SCDHSP90AA1
SCHEMBL17558248 0.67 RIPK1 (0.69) RIPK1SCD5EPHX2SCDHSP90AA1
SCHEMBL23009601 0.67 F11 (0.53) RIPK1F11EPHX2HSP90AA1HSP90AB1

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-1023265-B1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM CA LTD (CA) 2003-01-15 EP disclosed
US-6211170-B1 Azetidinone derivatives for the treatment of HCMV infections BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-04-03 US disclosed