SCHEMBL4069459

SCHEMBL4069459

O=C(O)NCCN1CCCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CXCR4 P61073 2/20 0.50
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 2/20 0.42
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 1/20 0.41
ITGB3 P05106 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
SCHEMBL165764 0.93 HSD17B10 (0.61) HSD17B10MEN1KMT2ACA12CA1
SCHEMBL165673 0.83 CA12 (0.60) MEN1KMT2ACA12CA1CA2
SCHEMBL14861110 0.82 HSD17B10 (0.49) HSD17B10MEN1KMT2ACXCR4KDM4E
SCHEMBL1934698 0.81 CA12 (0.61) MEN1KMT2ACA12CA1CA2
SCHEMBL3954077 0.81 HSD17B10 (0.47) HSD17B10MEN1KMT2ACXCR4KDM4E
SCHEMBL25242155 0.80 HSD17B10 (0.47) HSD17B10MEN1KMT2ACA12CA1
SCHEMBL23673763 0.79 CXCR4 (0.49) HSD17B10MEN1KMT2ACXCR4KDM4E
SCHEMBL21065340 0.79 CA12 (0.48) MEN1KMT2ACA12CA1CA2
SCHEMBL21070088 0.77 MEN1 (0.52) HSD17B10MEN1KMT2AKDM4EGAA
SCHEMBL10359623 0.77 HSD17B10 (0.59) HSD17B10MEN1KMT2ACXCR4CA12

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-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
EP-1605938-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
EP-1605938-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
WO-2004087145-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-10-14 WO disclosed