SCHEMBL6572924

SCHEMBL6572924

Cc1cnc([C@H]2O[C@@H](n3cnc4c(Nc5cccc(F)c5)ncnc43)[C@H](O)[C@@H]2O)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.52
NPY1R P25929 1/20 0.52
HTT P42858 1/20 0.52
NPY2R P49146 1/20 0.52
RAB9A P51151 1/20 0.52
SLC29A1 Q99808 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CYP1A2 P05177 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
ADORA3 P0DMS8 2/20 0.51
ADORA1 P30542 2/20 0.51

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
SCHEMBL6574482 0.91 LMNA (0.54) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL6575176 0.79 ADORA1 (0.65) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL6576579 0.78 ADORA2A (0.59) PMP22SMN1; SMN2HTTSLC29A1RXFP1
SCHEMBL6576565 0.78 ADORA2A (0.59) PMP22SMN1; SMN2HTTSLC29A1RXFP1
SCHEMBL6575206 0.77 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6572815 0.77 ADORA3 (0.58) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL7064432 0.76 ADORA3 (0.63) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL7064426 0.76 ADORA3 (0.63) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL6575053 0.75 ADORA3 (0.64) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL6576814 0.75 SLC29A1 (0.47) SLC29A1TSHRNFKB1THPOADORA3

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