SCHEMBL716338

SCHEMBL716338

CCCCN(COC(=O)[C@@H](N)C(C)C)c1nc2nc[nH]c2c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.42
HTT P42858 1/20 0.38
NCOA1 Q15788 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
POLA1 P09884 1/20 0.38
GDA Q9Y2T3 1/20 0.37
PNP P00491 1/20 0.37
PDE5A O76074 1/20 0.36
CDK1 P06493 3/20 0.35
CCNB1 P14635 3/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
PIN1 Q13526 1/20 0.35
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2732874 0.79 XDH (0.52) XDHHTTNCOA1SMN1; SMN2NCOA3
SCHEMBL7809886 0.78 XDH (0.57) XDHHTTNCOA1SMN1; SMN2NCOA3
SCHEMBL9059986 0.73 XDH (0.55) XDHHTTNCOA1SMN1; SMN2NCOA3
SCHEMBL3222570 0.68 USP2 (0.44) XDHHTTPOLA1GDAPDE5A
SCHEMBL716337 0.67 PI4KA (0.32)
SCHEMBL29450710 0.67 XDH (0.44) XDHPOLA1GDAPNPPDE5A
SCHEMBL473739 0.67 PDE5A (0.47) XDHPOLA1GDAPNPPDE5A
SCHEMBL5133747 0.65 PDE5A (0.51) XDHPOLA1GDAPNPPDE5A
SCHEMBL7680703 0.65 XDH (0.60) XDHPOLA1GDAPNPPDE5A
SCHEMBL2435286 0.65 GDA (0.57) XDHGDAPNP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124609-B2 Acyclic nucleoside derivatives MEDIVIR AB (SE) 2012-02-28 US disclosed