SCHEMBL6575176

SCHEMBL6575176

CCc1cnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(O)c(F)c5)ncnc43)[C@H](O)[C@@H]2O)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.65
ADORA3 P0DMS8 4/20 0.65
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48
NPY1R P25929 1/20 0.48
HTT P42858 1/20 0.48
NPY2R P49146 1/20 0.48
RAB9A P51151 1/20 0.48
SLC29A1 Q99808 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48

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
SCHEMBL6572815 0.86 ADORA3 (0.58) ADORA1ADORA3LMNAALDH1A1GLA
SCHEMBL6575053 0.83 ADORA3 (0.64) ADORA1ADORA3LMNAALDH1A1GLA
Gr-190178 SCHEMBL6559907 0.79 ADORA3 (1.00) ADORA1ADORA3LMNAALDH1A1GLA
Gr-190178 SCHEMBL6559897 0.79 ADORA3 (1.00) ADORA1ADORA3LMNAALDH1A1GLA
SCHEMBL6572924 0.79 LMNA (0.52) ADORA1ADORA3LMNAALDH1A1GLA
SCHEMBL6574482 0.79 LMNA (0.54) ADORA1ADORA3LMNAALDH1A1GLA
SCHEMBL6573247 0.77 ADORA3 (0.61) ADORA1ADORA3PMP22SMN1; SMN2HTT
SCHEMBL6573236 0.77 ADORA3 (0.61) ADORA1ADORA3PMP22SMN1; SMN2HTT
SCHEMBL6574236 0.77 TYMP (0.52) ADORA1ADORA3SMN1; SMN2SLC29A1MAPK1
SCHEMBL6572907 0.77 ADORA3 (0.65) ADORA1ADORA3PMP22SMN1; SMN2HTT

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-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed