SCHEMBL9982879

SCHEMBL9982879

CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2)=N1.CC1COC(c2cccc(C3=NC(C)CO3)c2)=N1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HRH3 Q9Y5N1 2/20 0.46
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
IL2 P60568 1/20 0.40
ROCK1 Q13464 1/20 0.39
RAB9A P51151 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL381302 0.85 NPC1 (0.62) NPC1MAPTRAB9A
SCHEMBL14351707 0.85 NPC1 (0.62) NPC1MAPTRAB9A
SCHEMBL471881 0.85 KDM4E (0.62) NPC1KDM4EHRH3LMNAMAPT
Hydrochloric Acid SCHEMBL8894953 0.83 NPC1 (0.60) NPC1MAPTRAB9A
SCHEMBL20410843 0.82 KDM4E (0.59) NPC1KDM4EHRH3LMNAMAPT
SCHEMBL20410959 0.78 KDM4E (0.58) KDM4EHRH3LMNAMAPTHTT
SCHEMBL20410735 0.78 KDM4E (0.54) KDM4EHRH3LMNAMAPTHTT
SCHEMBL20396188 0.77 KDM4E (0.53) KDM4EHRH3LMNAMAPTHTT
SCHEMBL29689817 0.77 KDM4E (0.53) KDM4EHRH3LMNAMAPTHTT
SCHEMBL1338846 0.76 NPC1 (0.51) NPC1MAPTRAB9A

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
EP-2397511-A2 Polyester film and method for producing same, backsheet for solar cell, and solar cell module Fujifilm Corporation (JP) 2011-12-21 EP disclosed