SCHEMBL6574482

SCHEMBL6574482

Cc1cnc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(F)cc5)ncnc43)[C@H](O)[C@@H]2O)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.54
PMP22 Q01453 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPC1 O15118 1/20 0.54
NPY1R P25929 1/20 0.54
HTT P42858 1/20 0.54
NPY2R P49146 1/20 0.54
RAB9A P51151 1/20 0.54
SLC29A1 Q99808 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54
ADORA2B P29275 2/20 0.54
ADORA2A P29274 1/20 0.54

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
SCHEMBL6572924 0.91 LMNA (0.52) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL6576579 0.79 ADORA2A (0.59) PMP22SMN1; SMN2HTTSLC29A1RXFP1
SCHEMBL6576565 0.79 ADORA2A (0.59) PMP22SMN1; SMN2HTTSLC29A1RXFP1
SCHEMBL6575176 0.79 ADORA1 (0.65) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL6575206 0.78 ADORA3 (0.54) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6572815 0.78 ADORA3 (0.58) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL5509078 0.78 AHCY (0.61) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL6576804 0.76 SLC29A1 (0.47) SLC29A1TSHRNFKB1THPOADORA2B
SCHEMBL6576814 0.76 SLC29A1 (0.47) SLC29A1TSHRNFKB1THPOADORA2B
SCHEMBL6573899 0.75 ADORA3 (0.52) LMNAALDH1A1GLAPMP22SMN1; SMN2

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