SCHEMBL6345969

SCHEMBL6345969

[c]1[c]c2cccnc2nc1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MMP2 P08253 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MMP8 P22894 1/20 0.30
CCR1 P32246 1/20 0.30
THPO P40225 1/20 0.30
MTOR P42345 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL277687 0.68 NUDT1 (0.32) NUDT1KDM4EMAPTTDP1GMNN
SCHEMBL452301 0.68 MAPT (0.33) MAPT
SCHEMBL28366418 0.67 CCR1 (0.57) KDM4EMAPTTDP1GMNNLMNA
SCHEMBL3627642 0.65
SCHEMBL8778 0.65 LMNA (0.31) NUDT1KDM4EMAPTTDP1GMNN
SCHEMBL3938300 0.65 ALDH1A1 (0.38) KDM4EMAPTTDP1GMNNLMNA
SCHEMBL451695 0.65 MAPT (0.39) KDM4EMAPTTDP1GMNNLMNA
SCHEMBL286319 0.64 NUDT1 (0.33) NUDT1
SCHEMBL160170 0.61 ALDH1A1 (0.38) NUDT1KDM4EMAPTTDP1GMNN
SCHEMBL112215 0.61

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-6946207-B2 Electroconductive device, organic electroluminescence device using the device and process for producing the electroconductive device CANON KABUSHIKI KAISHA (JP) 2005-09-20 US disclosed