SCHEMBL6574589

SCHEMBL6574589

CC(C)(C)c1nnc([C@H]2O[C@@H](n3cnc4c(NCCS(=O)(=O)Nc5ccccc5)ncnc43)[C@H](O)[C@@H]2O)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.47
ADORA2A P29274 5/20 0.47
ADORA1 P30542 4/20 0.47
NFKB1 P19838 2/20 0.47
THPO P40225 2/20 0.47
TSHR P16473 2/20 0.47
ADORA2B P29275 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
PMP22 Q01453 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
NPY1R P25929 1/20 0.46
HTT P42858 1/20 0.46
NPY2R P49146 1/20 0.46
RAB9A P51151 1/20 0.46
SLC29A1 Q99808 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL6574592 1.00 ADORA3 (0.47) ADORA3ADORA2AADORA1NFKB1THPO
SCHEMBL6575179 0.92 ADORA3 (0.42) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6575172 0.92 ADORA3 (0.42) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6574576 0.90 ADORA3 (0.47) ADORA3ADORA2AADORA1NFKB1THPO
SCHEMBL6574580 0.90 ADORA3 (0.47) ADORA3ADORA2AADORA1NFKB1THPO
SCHEMBL6575222 0.89 ADORA1 (0.46) ADORA3ADORA2AADORA1TSHRADORA2B
SCHEMBL6575215 0.89 ADORA1 (0.46) ADORA3ADORA2AADORA1TSHRADORA2B
SCHEMBL6572835 0.88 ADORA3 (0.48) ADORA3ADORA2AADORA1NFKB1THPO
SCHEMBL6572980 0.85 SLC29A1 (0.51) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6574202 0.77 ADORA3 (0.52) ADORA3ADORA2AADORA1NFKB1THPO

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