SCHEMBL5997097

SCHEMBL5997097

Cn1cc(C(c2ccc(O)c(O)c2O)c2cn(C)c3ccccc23)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 2/20 0.51
IDO1 P14902 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
SRC P12931 2/20 0.39
IMPDH2 P12268 2/20 0.38

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
SCHEMBL8591131 0.83 MEN1 (0.67) MEN1KMT2ALMNAIDO1MAPT
SCHEMBL31268114 0.83 MEN1 (0.67) MEN1KMT2ALMNAIDO1MAPT
SCHEMBL27960948 0.74 MEN1 (0.59) MEN1KMT2ALMNAIDO1MAPT
SCHEMBL31268138 0.73 MEN1 (0.55) MEN1KMT2ALMNAIDO1MAPT
SCHEMBL3916363 0.72 ADRA2A (0.40) LMNATDP1ALDH1A1
SCHEMBL820361 0.71 IDO1 (0.61) MEN1KMT2ALMNAIDO1MAPT
SCHEMBL646254 0.70 GPR84 (0.55) MEN1KMT2ALMNAIDO1MAPT
SCHEMBL21803776 0.70 IDO1 (0.65) MEN1KMT2ALMNAIDO1MAPT
SCHEMBL14272982 0.70 IDO1 (0.45) MEN1KMT2ALMNAIDO1MAPT
SCHEMBL5936671 0.69 GAA (0.62) MEN1KMT2ALMNAIDO1MAPT

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
WO-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 WO disclosed