SCHEMBL4581244

SCHEMBL4581244

CCCCOC(=O)Cn1ncc(C#N)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 3/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 5/20 0.42
F2 P00734 1/20 0.42
MEN1 O00255 4/20 0.40
PKM P14618 1/20 0.40
XDH P47989 2/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4134200 0.78 FNTA (0.48) FNTAFNTBSMN1; SMN2KDM4EALDH1A1
SCHEMBL24920108 0.78 NPC1 (0.56) SMN1; SMN2KDM4EALDH1A1HTTKMT2A
SCHEMBL11899586 0.73 PKM (0.48) FNTAFNTBKDM4EALDH1A1POLB
SCHEMBL1742738 0.73 PKM (0.48) FNTAFNTBKDM4EALDH1A1POLB
SCHEMBL2193196 0.71 PKM (0.55) FNTAFNTBSMN1; SMN2KDM4EALDH1A1
SCHEMBL30254449 0.70 XDH (0.45) XDHGAA
SCHEMBL17665507 0.69 MEN1 (0.58) SMN1; SMN2POLBRECQLKMT2AMEN1
SCHEMBL8234335 0.68 PKM (0.55) FNTAFNTBKDM4EALDH1A1POLB
SCHEMBL2075577 0.68 PKM (0.49) FNTAFNTBKDM4EALDH1A1POLB
SCHEMBL17665629 0.68 LMNA (0.55) SMN1; SMN2KDM4EALDH1A1POLBKMT2A

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-1904496-A2 COMPOSITIONS AND METHODS PERTAINING TO PNA SYNTHONS AND OLIGOMERS COMPRISING A UNIVERSAL BASE Applera Corporation (US) 2008-04-02 EP disclosed
WO-2006138453-A2 COMPOSITIONS AND METHODS PERTAINING TO PNA SYNTHONS AND OLIGOMERS COMPRISING A UNIVERSAL BASE APPLERA CORPORATION (US) 2006-12-28 WO disclosed