SCHEMBL6384841

SCHEMBL6384841

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1cc2c(N)cccc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.33
ADORA2A P29274 2/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6380330 0.81 HRH4 (0.39) HRH4
SCHEMBL6381734 0.67 KDM4E (0.39) ADORA2AKDM4E
SCHEMBL6378951 0.67 MAPT (0.43) KDM4E
SCHEMBL6838307 0.66 ADORA2A (0.47) ADORA2AKDM4E
SCHEMBL6380936 0.63 ADORA2A (0.40) ADORA2A
SCHEMBL7600407 0.62 ADORA2A (0.38) ADORA2AKDM4E
SCHEMBL6424493 0.60 ATP1A1 (0.35) ADORA2A
SCHEMBL30504020 0.59 GAA (0.33) ADORA2A
SCHEMBL1353956 0.59 PARP1 (0.59) HRH4KDM4E
SCHEMBL12777898 0.59 ALDH1A1 (0.42) HRH4KDM4E

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
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 EP claimed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 WO claimed