SCHEMBL13501331

SCHEMBL13501331

O=C(Nc1ccc(N2CCNCC2)cc1)c1ccn2ncc(-c3cccc(OCc4ccccc4)c3)c2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.72
CYBB P04839 2/20 0.57
PIM1 P11309 2/20 0.51
PIM2 Q9P1W9 2/20 0.51
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
ESR2 Q92731 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45

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
SCHEMBL13501329 0.93 SLC2A1 (0.62) SLC2A1CYBBPIM1PIM2MAPT
SCHEMBL13501293 0.92 SLC2A1 (0.66) SLC2A1CYBBPIM1PIM2MAPT
SCHEMBL13500930 0.89 CYBB (0.73) SLC2A1CYBBPIM1PIM2KMT2A
SCHEMBL13501112 0.88 SLC2A1 (0.79) SLC2A1CYBBPIM1PIM2MAPT
SCHEMBL13501162 0.87 SLC2A1 (0.59) SLC2A1CYBBPIM1PIM2KMT2A
SCHEMBL13501034 0.87 SLC2A1 (0.59) SLC2A1CYBBPIM1PIM2MAPT
SCHEMBL13501294 0.86 SLC2A1 (0.82) SLC2A1CYBBPIM1PIM2MAPT
SCHEMBL13501328 0.86 SLC2A1 (0.74) SLC2A1CYBBPIM1PIM2MAPKAPK2
SCHEMBL13501435 0.86 SLC2A1 (0.79) SLC2A1CYBBPIM1PIM2MAPKAPK2
SCHEMBL13501362 0.85 SLC2A1 (0.75) SLC2A1CYBBPIM1PIM2MAPKAPK2

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