SCHEMBL6135863

SCHEMBL6135863

CN(C(N)=O)C(=O)[CH]CCCNC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALB P02768 1/20 0.32

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
SCHEMBL3514889 0.77 ALOX15 (0.42) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3977924 0.75 ALOX15 (0.44) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3603087 0.73 ALOX15 (0.39) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL14311842 0.73 HSD17B10 (0.39) CYP1A2
SCHEMBL4417604 0.72 TSHR (0.30)
SCHEMBL10772553 0.72 ALOX15 (0.44) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3092709 0.70 HRH4 (0.31) CYP1A2
SCHEMBL261594 0.69
SCHEMBL28588056 0.68 ALOX15 (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9772166 0.67 ALOX15 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 US claimed
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP claimed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP claimed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO claimed
US-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 US disclosed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP disclosed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO disclosed