SCHEMBL13501034

SCHEMBL13501034

O=C(Nc1cccc(N2CCNCC2)c1)c1ccn2ncc(-c3ccc(OCc4ccccc4)cc3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.59
CYBB P04839 2/20 0.53
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
LRRK2 Q5S007 1/20 0.45
PRMT5 O14744 2/20 0.44
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
KDR P35968 2/20 0.41
ADRB2 P07550 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL13501162 0.97 SLC2A1 (0.59) SLC2A1CYBBSIRT2SIRT1SIRT3
SCHEMBL13501329 0.93 SLC2A1 (0.62) SLC2A1CYBBSIRT2SIRT1SIRT3
SCHEMBL13501057 0.92 SLC2A1 (0.49) SLC2A1CYBBSIRT2SIRT1SIRT3
SCHEMBL13501293 0.92 SLC2A1 (0.66) SLC2A1CYBBSIRT2SIRT1SIRT3
SCHEMBL13501352 0.91 MAPT (0.49) SLC2A1CYBBLRRK2PIM1PIM2
SCHEMBL13501058 0.91 MAPK14 (0.51) SLC2A1CYBBSIRT2SIRT1SIRT3
SCHEMBL13501123 0.90 SLC2A1 (0.47) SLC2A1CYBBLRRK2PIM1PIM2
SCHEMBL13501104 0.90 SLC2A1 (0.63) SLC2A1CYBBLRRK2PIM1PIM2
SCHEMBL13501137 0.90 SLC2A1 (0.47) SLC2A1CYBBSIRT2LRRK2PRMT5
SCHEMBL13501088 0.89 SLC2A1 (0.57) SLC2A1CYBBSIRT2SIRT1SIRT3

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
US-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed
US-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed