SCHEMBL6435213

SCHEMBL6435213

CCCCCCCCC(=O)Nc1ncnc2nn[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
GSK3B P49841 2/20 0.45
DEGS1 O15121 1/20 0.42
RAB9A P51151 2/20 0.41
AURKA O14965 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
BRD4 O60885 2/20 0.40
PLA2G2C Q5R387 1/20 0.40
NPC1 O15118 2/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
GSK3A P49840 1/20 0.38
CETP P11597 1/20 0.38
FAAH O00519 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
SCHEMBL7052324 0.81 HDAC1 (0.61) XDHRAB9AAURKAHDAC1HDAC2
SCHEMBL5192969 0.81 HDAC1 (0.61) XDHRAB9AAURKAHDAC1HDAC2
SCHEMBL5193809 0.72 XDH (0.61) XDHGSK3BDEGS1RAB9AAURKA
SCHEMBL7052321 0.72 XDH (0.61) XDHGSK3BDEGS1RAB9AAURKA
SCHEMBL2623138 0.70 XDH (0.62) XDHGSK3BDEGS1RAB9AAURKA
SCHEMBL6422127 0.69 BRD4 (0.65) RAB9AAURKABRD4NPC1
SCHEMBL27570011 0.68 HDAC1 (0.58) DEGS1RAB9AAURKAHDAC1HDAC2
SCHEMBL27741454 0.67 DEGS1 (0.50) XDHDEGS1RAB9ANPC1GLA
SCHEMBL14655898 0.67 SPHK2 (0.49) XDHDEGS1RAB9ANPC1MAPK1
SCHEMBL10578168 0.66 XDH (0.50) XDHDEGS1RAB9ANPC1GLA

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-1589028-A2 Modified oligonucleotides, their preparation and their use Aventis Pharma Deutschland GmbH (DE) 2005-10-26 EP disclosed
EP-0680969-B1 Modified oligonucleotides, their preparation and their use AVENTIS PHARMA GMBH (DE) 2005-07-27 EP disclosed
US-6066720-A WITH AT LEAST ONE 8-AZAPURINE BASE; FORMS MORE STABLE HYBRIDIZATION COMPLEXES WITH NUCLEIC ACIDS; FOR ANTISENSE AGENTS, DIAGNOSTIC AGENTS, PROBES, PRIMERS HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-23 US disclosed
EP-0680969-A2 Modified oligonucleotides, their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-08 EP disclosed