SCHEMBL3687264

SCHEMBL3687264

CCOC(=O)c1ccc(-c2c(C)nn(-c3ccccn3)c2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 1/20 0.61
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 7/20 0.51
MAPT P10636 6/20 0.51
HTT P42858 3/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 1/20 0.49
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL3683062 0.85 MAPT (0.52) SLC11A2ALDH1A1KDM4EMAPTHTT
SCHEMBL4746341 0.80 ALDH1A1 (0.48) SLC11A2ALDH1A1KDM4EMAPTHTT
SCHEMBL3683176 0.79 SLC11A2 (0.53) SLC11A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL3689323 0.79 FFAR4 (0.45) ALDH1A1KDM4EMAPTHTTHPGD
SCHEMBL3692788 0.78 MAPT (0.48) SLC11A2ALDH1A1KDM4EMAPTHTT
SCHEMBL3682387 0.78 SLC11A2 (0.51) SLC11A2ALDH1A1KDM4EMAPTHTT
SCHEMBL3693842 0.78 MEN1 (0.42) ALDH1A1KDM4EMAPTHTTHPGD
SCHEMBL7479238 0.77 ALDH1A1 (0.57) SLC11A2ALDH1A1KDM4EMAPTHTT
SCHEMBL3683412 0.77 MAPT (0.45) SLC11A2ALDH1A1KDM4EMAPTHPGD
SCHEMBL4789074 0.77 KMT2A (0.47) KDM4ENPSR1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO claimed
WO-2008121861-A2 PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-09 WO claimed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO disclosed
WO-2008121861-A2 PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-09 WO disclosed
WO-2008121861-A2 PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-09 WO disclosed